
def load_dfit(dbinstance):

    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-60.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=68.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-79.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=3.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-15.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=27.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=3.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=2.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=5.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=5.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-1.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-1.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-88.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-0.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-19.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-6.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-4.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-110.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-22.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-5.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-3.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=7.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=2.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=3.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-1.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-1.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=2.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-13.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=2.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-2.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-15.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-100.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-1.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-5.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-15.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-1.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-0.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=2.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-12.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=-13.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B3LYP', mode='dfhf_CP', basis='def2qzvp', value=1.7256)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B3LYP', mode='dfhf_CP', basis='adz', value=0.7407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B3LYP', mode='dfhf_CP', basis='adz', value=1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B3LYP', mode='dfhf_CP', basis='adz', value=0.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B3LYP', mode='dfhf_CP', basis='adz', value=0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B3LYP', mode='dfhf_CP', basis='adz', value=0.8052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B3LYP', mode='dfhf_CP', basis='adz', value=1.2567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.4184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-17.9999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-106.5854)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.6331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.4974)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.7715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=3.0228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-20.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B3LYPD2', mode='dfhf_CP', basis='def2qzvp', value=-18.2490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=6.3254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-19.0584)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.6853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-111.5070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-18.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-8.5111)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9310)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-125.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-16.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.8980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.2166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-121.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-115.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-6.5236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9904)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-119.8613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-81.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.8734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-109.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-7.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.0702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-13.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6440)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.4251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.6525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-16.6030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=2.5845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-19.5153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.0316)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3623)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=1.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.4817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-94.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-6.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-18.8016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.8611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-110.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-26.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.8042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-8.1049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6905)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-22.5784)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-22.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-11.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-113.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-20.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=82.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-11.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8501)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-8.7823)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.4320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-14.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-124.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.5748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-8.0213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.0603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=83.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=62.6331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-19.8752)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.7817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=62.0367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-7.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=4.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-20.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-112.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-24.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-105.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-97.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=13.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-24.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.9575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-7.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-8.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-77.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-17.0728)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-9.1342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-102.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-25.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-103.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-18.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-104.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-105.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-7.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-7.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-15.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-22.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-6.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-101.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-92.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-116.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-17.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-119.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-111.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-14.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.5022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-9.5437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.3916)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-116.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=61.6856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.0774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-92.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-15.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4788)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-25.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-111.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9098)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-113.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3177)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=4.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=0.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-115.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-67.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-105.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-116.0936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=61.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-11.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-114.2665)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-25.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-116.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=58.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-25.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-6.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-114.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-76.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=70.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-19.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=4.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.4413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.9161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-105.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-115.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-11.8375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-5.3408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8714)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.6836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-119.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.5529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-4.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=11.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-2.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-109.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-3.4804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9294)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.8384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=0.3558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.0066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B3LYPD2', mode='dfhf_CP', basis='adz', value=-1.4443)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-102.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-3.7643)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.2759)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-100.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-90.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-6.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-23.2283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.5589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-118.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-92.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-22.4168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-4.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-91.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-23.8013)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.5648)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-12.0462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-4.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.7514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=3.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.3204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-86.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-6.8439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.9160)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-23.9652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-112.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-13.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=1.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-10.1104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=8.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=61.9988)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-3.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-3.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-99.7608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-19.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-22.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-3.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-8.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=2.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-3.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-4.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=4.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-20.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-112.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.9760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-5.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-4.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.0602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2068)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.5988)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-97.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1809)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.5088)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.0554)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-7.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-8.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-3.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-77.0809)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-122.9445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=3.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-118.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=9.5198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-119.8136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.0822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-6.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.8637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=4.4380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-113.1499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=3.5878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.5903)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-117.0721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-18.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.1850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=58.2927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=2.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-15.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-87.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.2143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.3030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=5.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-5.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=0.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-16.2267)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-9.8483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-119.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.5633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.4892)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-2.4812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B3LYPD3', mode='dfhf_CP', basis='adz', value=-0.3590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5788)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.4757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6870)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.3058)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9562)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8991)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8680)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7289)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2700)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2831)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0974)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=86.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.7513)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=63.5060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1475)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0103)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4315)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9940)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4950)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0802)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9308)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.7542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.9750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B3LYPD3BJ', mode='dfhf_CP', basis='adz', value=-87.5829)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-12.2764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-99.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.1845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7087)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4796)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-97.8760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-98.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=8.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-106.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.5467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5058)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.8561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-11.8874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-107.5569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5600)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-10.4672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.8941)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-93.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-87.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=63.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=13.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-20.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-97.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-87.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-66.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=15.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-8.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=14.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=66.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-113.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-89.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-6.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-79.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-116.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.5055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-120.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-11.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-96.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.3742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-106.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-6.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-103.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.7078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-76.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-5.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.9437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=67.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-9.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-23.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-20.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=12.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-119.9140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4975)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-87.9700)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-102.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-116.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.8291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3897)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.8098)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-104.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-101.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-5.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.1346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=17.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-93.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-92.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-95.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-20.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-112.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0912)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-17.3820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9205)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0656)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.7748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.0084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-110.7723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-9.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-8.6079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-10.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-105.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-113.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-110.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-80.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-76.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-20.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=12.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-6.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-90.2899)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.5559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-115.0027)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1448)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.4158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8986)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6941)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1892)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-10.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-6.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-90.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3378)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-113.4459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.6901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-113.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-85.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-8.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-108.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.8449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-89.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-76.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-5.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.3775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-11.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-83.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=8.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-5.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=8.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.6490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.1142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3189)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5029)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-90.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3178)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-9.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-7.4126)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=64.8348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-9.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-59.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-10.5175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=16.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.6751)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-108.2254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-11.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.5516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=10.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=30.6299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.0180)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.2842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-99.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-85.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5381)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.4694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0406)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.4893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3208)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-7.3083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6522)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.5733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0562)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-20.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-105.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-112.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.2666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=12.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-8.3070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1789)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=89.4075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-12.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-119.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-18.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-5.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=87.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=67.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-7.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=12.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=68.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-98.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-16.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-108.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-100.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-94.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=15.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-74.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.3837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-4.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-78.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-97.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-102.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.1740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.9934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-99.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-104.2432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-10.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-20.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-97.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-89.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-113.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-109.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-11.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-5.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.6598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.7693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=65.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-19.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.6516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-89.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.6254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-113.8158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6225)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-83.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-112.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-21.3978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-14.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=61.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-22.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-109.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-75.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=74.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-13.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=6.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-97.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-101.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-7.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-2.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-7.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-9.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-85.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-107.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=7.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-11.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-106.3862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-6.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-114.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.7625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=9.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=13.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=3.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-107.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=5.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-3.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-24.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=4.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-106.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-111.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-0.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=1.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=2.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-1.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-110.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=10.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=-15.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=82.0354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97', mode='dfhf_CP', basis='def2qzvp', value=8.9284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97', mode='dfhf_CP', basis='adz', value=-3.5474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97', mode='dfhf_CP', basis='adz', value=-5.3417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97', mode='dfhf_CP', basis='adz', value=-2.0362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B97', mode='dfhf_CP', basis='adz', value=2.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B97', mode='dfhf_CP', basis='adz', value=2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B97', mode='dfhf_CP', basis='adz', value=8.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B97', mode='dfhf_CP', basis='adz', value=2.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B97', mode='dfhf_CP', basis='adz', value=3.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B97', mode='dfhf_CP', basis='adz', value=1.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B97', mode='dfhf_CP', basis='adz', value=1.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B97', mode='dfhf_CP', basis='adz', value=0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B97', mode='dfhf_CP', basis='adz', value=1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B97', mode='dfhf_CP', basis='adz', value=0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B97', mode='dfhf_CP', basis='adz', value=4.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B97', mode='dfhf_CP', basis='adz', value=0.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B97', mode='dfhf_CP', basis='adz', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B97', mode='dfhf_CP', basis='adz', value=1.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B97', mode='dfhf_CP', basis='adz', value=2.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B97', mode='dfhf_CP', basis='adz', value=2.3837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97', mode='dfhf_CP', basis='adz', value=2.0176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-4.3553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.1562)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-99.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-90.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-5.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-22.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-24.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-70.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=10.6539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-6.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=64.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-117.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-91.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-21.1250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-106.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-4.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0858)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-4.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-91.7004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-104.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.5966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-16.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-22.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.2354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-4.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-5.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-102.2114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-10.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-111.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=14.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7769)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=2.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=7.1994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-8.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-13.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-4.5567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=0.5697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=4.6870)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-9.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-118.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-3.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=6.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-7.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9065)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0591)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-16.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-8.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-8.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-10.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2477)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-125.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-15.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-17.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=59.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0267)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-117.6079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-7.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-15.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=13.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-25.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-98.8261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-15.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=68.4881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-5.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-115.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=1.3792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-7.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-15.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-16.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-21.0862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-8.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-4.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-22.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-22.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=4.5290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=0.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-23.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-19.7773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-111.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-12.6637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=1.6763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=62.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-25.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-4.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=0.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-99.9417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-19.2961)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-21.2892)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-104.8327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=0.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-4.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-115.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=62.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-22.6869)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-4.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-4.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-3.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-100.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-105.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-114.9167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-11.1979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8595)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-109.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-22.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-8.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3', mode='dfhf_CP', basis='adz', value=-4.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.8134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-2.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-3.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-11.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-17.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-91.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-2.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3', mode='dfhf_CP', basis='adz', value=-2.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3', mode='dfhf_CP', basis='adz', value=0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3', mode='dfhf_CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.7511)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-89.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-70.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=64.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-98.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=83.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=68.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=20.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-98.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2797)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-82.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.8627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2962)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.3000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.4170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1448)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4423)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=78.0812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-85.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1623)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0129)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7014)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.1876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5878)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=14.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2038)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=24.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=84.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=85.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=85.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=64.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3316)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.4276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5555)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=58.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-76.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=71.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=81.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5189)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=62.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-80.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-15.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=22.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-89.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-20.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-110.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2758)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-106.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-94.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-12.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-100.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-102.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=7.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-109.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-100.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-113.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-110.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-105.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-12.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-95.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-12.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-89.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=59.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=9.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-99.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-90.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-70.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=11.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=12.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=63.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-116.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-91.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.8687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-81.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-120.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-26.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-123.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-15.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-99.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-106.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-107.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8267)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-105.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.1158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-76.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=59.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-116.9983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=10.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-122.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-91.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-104.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-87.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=9.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-105.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-120.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-108.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-25.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-104.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-15.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=13.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-98.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.7037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=80.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-100.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=67.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-119.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-15.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9961)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.5100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0429)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-122.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-115.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-81.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-108.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-118.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-79.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-20.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=8.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-92.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-107.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-95.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-77.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-113.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=55.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=11.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-81.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.4673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.7483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5513)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-109.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-88.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-108.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-27.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9391)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.9694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-86.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.9609)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=12.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.4078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-116.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=61.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=7.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-91.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=6.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-93.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-101.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-110.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-63.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=76.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-95.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-25.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-85.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-105.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6759)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.2874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-93.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-86.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=14.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=6.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-92.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-100.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=6.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=11.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=24.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-20.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-121.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-20.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=12.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6130)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-102.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-87.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-12.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.1324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-112.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=82.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-112.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-110.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-12.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=8.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=83.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-122.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-118.9820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=82.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=63.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=8.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=61.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-99.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-21.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-19.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-104.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-96.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=12.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-76.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-8.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-79.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-101.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-103.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-103.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-105.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-7.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-100.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-91.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-115.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-118.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-110.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=61.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-22.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-91.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-14.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-121.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-117.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=9.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=6.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-115.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-104.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-115.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=61.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-93.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-13.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-112.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-12.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-117.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-86.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-118.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-112.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=3.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-115.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-23.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-16.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-25.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-115.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=58.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-24.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-6.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-113.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-76.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=69.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=4.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-100.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-104.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-11.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-10.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=2.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-15.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-87.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-109.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=0.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-15.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-108.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-9.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-118.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=6.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=10.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-109.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-5.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-26.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-109.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-114.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-4.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-111.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=8.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-18.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=79.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=5.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-3.4659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=1.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-2.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-1.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B97D3BJ', mode='dfhf_CP', basis='adz', value=-17.0755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5793)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.7818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.3612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4974)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3482)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-99.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-16.7168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-2.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-107.6279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=63.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=12.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.6197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8178)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.0875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-2.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=6.8866)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.4919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.5025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-104.2638)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-4.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-15.1363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-2.6636)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-22.2738)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-17.2372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.3330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.5568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.2763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1101)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7789)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.6943)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-3.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-10.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-23.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-21.5350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=12.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6501)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.2695)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-102.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.7879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.7558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.2372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8692)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.0191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.6787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-93.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-95.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-4.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-14.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-21.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-113.5679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1148)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0724)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-111.8452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-15.7078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-111.9761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-80.7655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-19.5215)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-14.7818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-3.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.3855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-14.6330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.5990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-84.1902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-90.8505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.6585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-4.2881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.5647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.3837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-4.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.5833)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.9931)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-100.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-86.1863)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-112.1675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3848)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-20.9458)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-107.0016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3294)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-120.4362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.0697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-18.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.0661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=66.9321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-15.9969)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-7.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=12.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=68.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-22.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-99.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-15.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-20.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1429)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-4.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=5.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-2.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=7.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-17.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-109.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-21.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-2.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-101.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-95.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=14.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-21.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6719)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-2.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.9712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.4702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-75.5180)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-98.7545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6468)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0488)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-5.0969)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.6177)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.8004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-112.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=65.2322)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.3351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-14.1825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1225)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-83.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-116.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.8509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=6.7804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.4145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-75.8671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7930)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0962)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-14.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=6.5046)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-102.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-112.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-7.5972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=3.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-8.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-9.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-85.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.4030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=7.0120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-11.8400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6867)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.2209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.8587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=4.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-107.4191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.6100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-0.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.9719)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=2.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-1.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-111.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=10.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-15.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=-16.2816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYP', mode='dfhf_CP', basis='def2qzvp', value=8.2790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BLYP', mode='dfhf_CP', basis='adz', value=2.3942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BLYP', mode='dfhf_CP', basis='adz', value=0.9948)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BLYP', mode='dfhf_CP', basis='adz', value=0.9663)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='BLYP', mode='dfhf_CP', basis='adz', value=0.8324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BLYP', mode='dfhf_CP', basis='adz', value=1.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BLYP', mode='dfhf_CP', basis='adz', value=2.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='BLYP', mode='dfhf_CP', basis='adz', value=2.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='BLYP', mode='dfhf_CP', basis='adz', value=2.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BLYP', mode='dfhf_CP', basis='adz', value=1.5993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.0955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-100.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-90.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-5.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-22.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-25.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=9.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.9784)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-7.0201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-117.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-92.3780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-21.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-115.6438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-107.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.7671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-4.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-92.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-23.5051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.1948)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-9.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.6410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.3093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-4.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.8881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-109.6309)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-5.1951)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.9122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=12.5227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-14.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-3.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.2004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-4.4242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-106.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-6.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.9994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-6.9651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD2', mode='dfhf_CP', basis='def2qzvp', value=-2.6091)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BLYPD2', mode='dfhf_CP', basis='adz', value=-4.7524)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.6010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.3338)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-116.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.7169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.3589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-7.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-120.4844)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.1250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-21.3369)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-23.9402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-20.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.1306)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-111.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-13.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.4474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.3176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.4574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-3.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-3.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.3919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-3.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.4430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-2.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.7975)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.3327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-22.0861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-116.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=61.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-23.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-3.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-5.8724)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-11.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-5.0300)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-1.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-3.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BLYPD3', mode='dfhf_CP', basis='def2qzvp', value=-11.1212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-92.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-2.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-2.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BLYPD3', mode='dfhf_CP', basis='adz', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=22.8419)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2038)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=63.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.5606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-125.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2943)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4277)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-98.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=82.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.4314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8306)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=68.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4653)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4524)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=19.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-82.0464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2089)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5509)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6975)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8860)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8784)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3338)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.4713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0943)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-82.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6588)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.3079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7850)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.4486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-86.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5873)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9580)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2963)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6566)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=14.5685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7315)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9277)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=24.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.3235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=83.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9279)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=85.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=84.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=63.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7422)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9044)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=71.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.2723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=81.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=62.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-80.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=23.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-89.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-20.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.9304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-110.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.7416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9435)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-102.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.2798)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.7119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-106.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-95.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-100.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-102.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=7.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-110.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-100.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-113.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-110.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-106.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-95.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-89.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=59.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=9.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.6319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.6840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-100.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-90.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.4739)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-71.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=10.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-10.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=12.0052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2248)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-81.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-120.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-26.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-124.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-99.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-106.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-108.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3634)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1210)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.8863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-105.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.7433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-77.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.4680)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6892)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=59.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-117.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=10.0999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-122.3340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-91.5043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.5897)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-105.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-88.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=9.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-105.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-120.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-114.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-111.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-108.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-104.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=12.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-98.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-95.8568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-114.8327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1329)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-27.7150)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=79.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.8395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-100.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=67.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-115.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-119.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.2482)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1857)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.3860)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-116.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-81.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-108.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-98.7394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4804)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-118.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-79.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-20.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=8.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-92.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-107.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-95.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-77.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-113.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=55.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=11.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-81.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-114.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9411)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.1372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.3229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-109.3332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-88.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-10.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-109.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.6250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0732)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.4962)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-27.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.1669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3295)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4623)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=12.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7023)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.2526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=61.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=7.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-92.7228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-94.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7892)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-102.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-63.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.7312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0310)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-85.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-105.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-20.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-97.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-110.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2422)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.4063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-93.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.8696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-87.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-112.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.4630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.4978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-92.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5026)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3556)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.0932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0844)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=24.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-20.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-122.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.0720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-14.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.6398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-10.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-112.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=81.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-113.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-110.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-114.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=8.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=82.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-122.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-118.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=81.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=62.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=8.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=62.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-99.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-21.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-19.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-111.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-104.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-97.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=12.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-7.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-77.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-8.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-79.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-101.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-104.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-103.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-106.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-100.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-91.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-116.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-16.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-118.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-111.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-115.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=62.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-22.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-91.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-122.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-117.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=9.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-24.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-111.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-112.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=6.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-115.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-105.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-115.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=61.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-94.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-13.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-113.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-12.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-117.5397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-86.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-118.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-112.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=3.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-116.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-23.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-115.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=58.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-25.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-6.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-113.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-76.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=69.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=4.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-100.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-104.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-114.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-11.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-10.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=2.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-87.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-109.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-15.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-109.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-9.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-118.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=6.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=10.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-109.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-5.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-26.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-109.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-114.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-4.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-112.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=7.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=79.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=5.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-3.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-18.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-2.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-17.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-91.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.9353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.2816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-0.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BLYPD3BJ', mode='dfhf_CP', basis='adz', value=-1.4481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.3317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-12.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-100.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-11.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-13.2053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-94.5280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-100.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=9.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-109.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-12.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.7624)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-109.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-12.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-105.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-18.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-94.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-88.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=63.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=11.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-88.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-20.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-23.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-67.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=13.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.7116)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-8.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1310)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=14.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=66.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-115.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-90.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-19.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-113.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-8.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.9907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-118.8651)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-123.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-13.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-98.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-103.9673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-104.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-76.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-6.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.4787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=66.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-116.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-23.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-78.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=12.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-121.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-89.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.3922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.4709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0687)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7159)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-118.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-113.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6411)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.0241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-107.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-24.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-103.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-19.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-13.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=16.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-95.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-94.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-96.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-113.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-18.6682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.6572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.2599)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.9244)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-20.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9546)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-19.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-107.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-14.6325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-121.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-114.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9174)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-79.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8515)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3295)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-9.2396)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-97.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-11.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-107.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-116.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-80.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7959)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.5301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-117.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.8477)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-76.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.6416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6464)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0806)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0111)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-19.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-14.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=11.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-6.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-14.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3244)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4522)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-91.1991)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.0757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-117.5231)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-11.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9694)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.5856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8383)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-85.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-8.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-110.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.9012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-77.2841)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-13.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-84.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.5960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.9095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-20.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=13.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.4080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3215)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-116.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-91.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-9.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.6857)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=65.0740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-108.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.8910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.8512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-18.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-11.1307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-20.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.7527)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-9.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-110.1901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4235)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-9.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-12.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=9.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=13.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-101.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-86.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.1367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9310)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5939)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4936)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.5906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.0106)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-108.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-113.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=11.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-8.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=87.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-12.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-121.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-19.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-117.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=86.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=66.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=11.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=67.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-23.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-98.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-20.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-18.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-110.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-102.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-95.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=14.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-75.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-6.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-78.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-23.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-103.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.7168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-101.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-104.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-11.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-21.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-90.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-114.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-116.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-110.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-12.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-5.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-114.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=64.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-20.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.6708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-90.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-14.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-121.0942)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-110.4673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.0136)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3986)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-84.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-117.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=5.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-114.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-22.6824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.7451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-23.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-114.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=61.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-23.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-4.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-75.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=74.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-15.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-99.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-103.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-113.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-8.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-8.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-10.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-86.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-108.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=6.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-13.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-107.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-7.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-117.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=8.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=12.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-108.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=4.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-3.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-25.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=3.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-107.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-112.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-0.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-111.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=9.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-16.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=82.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=7.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-1.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=-17.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=2.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86', mode='dfhf_CP', basis='def2qzvp', value=0.9898)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86', mode='dfhf_CP', basis='adz', value=-5.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86', mode='dfhf_CP', basis='adz', value=-3.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86', mode='dfhf_CP', basis='adz', value=1.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.0033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86', mode='dfhf_CP', basis='adz', value=-21.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86', mode='dfhf_CP', basis='adz', value=-5.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.6608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.4004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='BP86', mode='dfhf_CP', basis='adz', value=0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86', mode='dfhf_CP', basis='adz', value=7.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='BP86', mode='dfhf_CP', basis='adz', value=3.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='BP86', mode='dfhf_CP', basis='adz', value=-0.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='BP86', mode='dfhf_CP', basis='adz', value=1.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='BP86', mode='dfhf_CP', basis='adz', value=1.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='BP86', mode='dfhf_CP', basis='adz', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='BP86', mode='dfhf_CP', basis='adz', value=1.2218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.7351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86', mode='dfhf_CP', basis='adz', value=1.1629)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86', mode='dfhf_CP', basis='adz', value=4.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86', mode='dfhf_CP', basis='adz', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86', mode='dfhf_CP', basis='adz', value=-8.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86', mode='dfhf_CP', basis='adz', value=-16.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86', mode='dfhf_CP', basis='adz', value=-88.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86', mode='dfhf_CP', basis='adz', value=2.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.8575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86', mode='dfhf_CP', basis='adz', value=2.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-63.0008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-114.2701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-5.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-23.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-26.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-70.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=9.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8471)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=3.8780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2390)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-17.9294)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5863)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-6.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=64.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-118.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-92.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-22.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-116.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-11.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-8.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-20.2219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-92.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-23.1902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-9.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=4.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-7.0852)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2522)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-21.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.6691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-20.7838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-17.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-110.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-18.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.0194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=1.1736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-19.4493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-21.3119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.8441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=12.5932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=83.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-11.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2088)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-22.0754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-14.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-124.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-22.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-4.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-7.9669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-121.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=84.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=64.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-19.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-17.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-8.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4722)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.1795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-106.2989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-113.7575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.1029)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-18.7842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-3.0864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7278)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-120.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-2.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=6.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-2.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-1.1303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-3.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-0.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-2.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-4.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-116.5137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D2', mode='dfhf_CP', basis='adz', value=-1.1706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=6.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5283)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-7.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-20.4168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7222)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-8.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-9.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-10.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-8.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=3.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-6.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=12.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3013)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4469)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-100.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-6.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.3901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-18.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=58.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-18.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-118.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=0.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-14.4823)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.0582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-106.9009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-116.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-6.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-113.2797)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-81.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.3673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-8.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-15.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=12.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-27.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-100.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=68.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-116.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=1.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-7.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-120.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-16.6862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-16.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-82.0587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-17.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-21.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=0.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4519)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0123)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.5011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-10.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-23.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=12.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-10.1498)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=3.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-94.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-7.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-25.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-25.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=0.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-24.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-21.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=2.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-113.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-13.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-116.1024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8693)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.4532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=0.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-100.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-20.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2318)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-7.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-9.6570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-117.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=61.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-23.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-92.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-15.6397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-87.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-120.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2705)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-4.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-101.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-106.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-116.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-12.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-5.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-11.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-3.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=0.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=2.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-16.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-88.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.0294)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-110.1597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3', mode='dfhf_CP', basis='adz', value=-8.2055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-110.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-22.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-8.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3', mode='dfhf_CP', basis='adz', value=-5.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.9924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.7585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-2.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-3.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-12.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-18.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-93.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-2.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3', mode='dfhf_CP', basis='adz', value=-2.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-2.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3', mode='dfhf_CP', basis='adz', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-62.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=19.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.7421)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.5686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-70.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=64.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-125.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4829)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1934)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=82.9053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=19.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.7824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=90.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-72.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=56.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-82.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.5367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1636)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3205)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0287)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7554)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3096)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2866)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-63.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=77.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-86.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2074)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1762)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=14.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=22.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=83.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=85.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=84.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=64.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-86.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=58.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-76.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=71.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=81.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=62.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-80.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=19.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-90.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-110.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1823)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.3862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3797)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9442)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1920)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-106.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-95.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-100.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=6.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-103.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=7.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-111.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-100.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-113.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-14.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-111.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-106.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-96.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=5.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-90.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=59.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=8.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-100.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-90.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-70.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=10.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.2375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=12.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=63.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-118.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-116.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-81.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-121.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-27.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-124.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-99.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-107.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-108.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.8598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-105.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-76.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-14.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=59.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-117.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-79.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=10.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-122.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-106.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-88.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=8.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-105.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-121.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-115.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-105.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=12.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-98.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-96.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-97.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-114.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-27.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=80.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=5.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-101.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=67.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-115.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-119.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.3668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-122.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-117.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-81.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-108.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-99.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-118.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-113.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-81.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-119.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-79.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=5.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=8.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-107.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-124.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6644)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=87.4727)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-95.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-77.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-114.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=55.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=11.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-81.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-114.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-116.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-110.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.8817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6629)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2759)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.5233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-93.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-118.3139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0768)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=6.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-88.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-86.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=12.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-118.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-93.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-117.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=61.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=7.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=6.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-94.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-102.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-111.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.1861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-63.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=76.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-96.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-26.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.9412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-85.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-106.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-97.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-110.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-26.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.9348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-119.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3082)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=11.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-93.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-87.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-14.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.7287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=14.1471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=5.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-93.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-101.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=6.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=11.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=22.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-122.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-14.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=12.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-103.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-103.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-88.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-113.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=81.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=5.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-113.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-23.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-115.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.5173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=8.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=82.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-123.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-120.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=82.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=63.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=8.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=62.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-99.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-21.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-20.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-105.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-97.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=12.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-76.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-79.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-102.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-104.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-104.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-105.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-7.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-101.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-116.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-119.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-111.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-14.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-9.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-116.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=62.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-22.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-91.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-122.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-118.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=9.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-111.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-113.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=6.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-115.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-106.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-115.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=61.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-94.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-13.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-113.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-118.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-86.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-119.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=3.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-117.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-24.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-116.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=58.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-25.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-6.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-114.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-76.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=70.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-100.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-105.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-115.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-12.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-10.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=2.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-15.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-87.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=5.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-4.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-16.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-8.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-119.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=6.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=10.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-110.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-5.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-27.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-109.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-114.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-112.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=7.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=79.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=4.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-19.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=1.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-17.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-91.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-3.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-11.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-18.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-92.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=0.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-1.2767)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='BP86D3BJ', mode='dfhf_CP', basis='adz', value=-0.4957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-80.6505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.4683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-89.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.0797)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3527)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-110.6286)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.4367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-14.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-102.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-12.3365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2484)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-106.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-95.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-11.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-100.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.3350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-102.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=7.9414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-110.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.2598)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.3253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5273)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.7996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-110.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-11.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-95.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-89.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=61.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=10.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-100.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-90.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-69.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=12.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1844)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=13.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=64.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-91.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0634)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-81.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-120.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-25.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-124.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-14.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-99.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-105.4868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-11.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-108.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-105.7097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.4169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-77.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.9058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=63.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-12.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=10.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-122.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-91.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.4227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.1606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-105.1539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-114.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.1921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.6849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-108.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-25.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-104.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-14.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=14.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-96.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-95.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-97.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-114.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0287)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=83.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.8183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=21.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-114.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-122.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.2402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0870)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-11.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-10.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-98.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.1501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-108.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-81.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-118.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-78.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=10.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.7599)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-118.7086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1378)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0642)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-94.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6326)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-14.5121)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2512)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4830)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=12.3820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-81.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1688)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-116.2446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-92.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.1207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-11.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.7063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.6836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.0888)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.1530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6722)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.5753)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.8669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-92.7536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.1504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-87.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.6524)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0440)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-91.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-78.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.9315)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1771)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-85.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=12.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-92.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-10.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.0825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=63.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-11.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.8960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.7664)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-12.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=78.6766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-95.9114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.5838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.3109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.3607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2271)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-92.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.7236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-86.9840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-10.5865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4188)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.8264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-10.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=15.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.5536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=7.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2160)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-92.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-10.7943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-101.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.5629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=7.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3999)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0884)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=25.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-122.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.2886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.2113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-14.2153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1549)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.1696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=12.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0300)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-102.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-103.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-87.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.1921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=84.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-22.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-110.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-12.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-114.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=9.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=86.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.9952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-122.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-20.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-119.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=85.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=65.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=10.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=65.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-99.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-19.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-103.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-96.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=13.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-76.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.4335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.4220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-79.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-101.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2202)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-104.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.7222)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.6741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2265)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-100.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8278)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-16.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-118.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-7.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=63.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-21.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-91.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-122.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=9.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-25.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-111.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-105.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=64.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-6.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-94.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-13.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-117.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-85.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-118.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-23.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.6982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-25.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-115.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=59.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-24.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-5.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-113.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-76.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=72.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-17.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=4.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-100.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-104.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-114.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-10.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-9.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=3.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-12.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-87.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-109.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=5.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-15.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-108.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-8.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-118.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=11.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-109.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=2.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-4.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-27.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=1.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-109.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-114.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-3.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-112.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=8.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-18.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=80.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=6.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.0217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=0.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4697)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-80.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='PBE', mode='dfhf_CP', basis='adz', value=2.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-15.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='PBE', mode='dfhf_CP', basis='adz', value=23.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='PBE', mode='dfhf_CP', basis='adz', value=2.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE', mode='dfhf_CP', basis='adz', value=4.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=4.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.8178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-89.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-19.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBE', mode='dfhf_CP', basis='adz', value=-7.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-5.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-109.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-22.3734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-6.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='PBE', mode='dfhf_CP', basis='adz', value=-4.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='PBE', mode='dfhf_CP', basis='adz', value=-0.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='PBE', mode='dfhf_CP', basis='adz', value=5.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='PBE', mode='dfhf_CP', basis='adz', value=1.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.2639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5308)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.6861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=2.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-22.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-17.7499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.0361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=3.4906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE', mode='dfhf_CP', basis='adz', value=-3.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2662)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.9447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-8.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5277)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=3.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=10.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=65.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-24.5002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-99.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-17.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-21.1483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.3647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.0489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-6.0750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=3.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-3.7238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=5.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-19.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-110.9783)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1027)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-103.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2029)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE', mode='dfhf_CP', basis='adz', value=-96.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE', mode='dfhf_CP', basis='adz', value=13.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-23.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.4438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.0890)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-4.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-3.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-76.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-16.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=2.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-4.1142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-1.3553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0472)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.0014)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-114.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=63.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-21.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-3.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.4434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE', mode='dfhf_CP', basis='adz', value=-91.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-15.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-121.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE', mode='dfhf_CP', basis='adz', value=5.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-117.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=9.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.3250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-24.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-110.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.6626)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-3.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-5.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1802)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-85.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-118.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE', mode='dfhf_CP', basis='adz', value=0.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2490)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.2012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.1705)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.9125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.2100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='PBE', mode='dfhf_CP', basis='adz', value=1.9461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='PBE', mode='dfhf_CP', basis='adz', value=-0.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE', mode='dfhf_CP', basis='adz', value=-2.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE', mode='dfhf_CP', basis='adz', value=-10.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='PBE', mode='dfhf_CP', basis='adz', value=-17.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE', mode='dfhf_CP', basis='adz', value=-90.2356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='PBE', mode='dfhf_CP', basis='adz', value=0.6927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-114.9049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-26.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=0.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-71.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=9.1258)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-22.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-117.0947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-8.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-20.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-7.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-77.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-7.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-8.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-25.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-20.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.8383)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.8876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-7.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.1200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-20.6603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=59.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5389)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-18.6927)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.0832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-25.7546)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1899)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.0548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-23.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-11.9908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.9796)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=3.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-7.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=0.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.7610)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=3.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-18.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-22.3923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2077)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-18.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=0.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-109.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-17.3195)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-82.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=2.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.3876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4027)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-16.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-87.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-6.6356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-12.4236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-25.6987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-6.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=11.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-9.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-102.5079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.9920)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-8.5746)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=2.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-18.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-104.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-89.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-24.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-21.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=1.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-12.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.2432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=82.9062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-12.3176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=3.1437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.2918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-8.5786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-114.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-24.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7791)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-9.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=7.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=62.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-26.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-100.6314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-22.5049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.5403)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-8.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=0.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=3.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-21.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-113.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-25.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-106.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.6510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-98.3102)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=12.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5500)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-25.1652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9129)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-80.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6395)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-112.6311)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.5845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.2076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-87.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-120.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-2.5895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-6.2223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=70.6388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-20.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-1.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=3.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-4.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-5.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-3.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-101.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-106.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBED2', mode='dfhf_CP', basis='def2qzvp', value=-116.4557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-21.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBED2', mode='dfhf_CP', basis='adz', value=-8.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-6.8430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-1.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-1.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-0.8722)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-1.1058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-110.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-23.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='PBED2', mode='dfhf_CP', basis='adz', value=-8.7744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7550)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=5.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-7.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-112.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.6173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.9984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-19.4093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-17.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-8.6657)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-126.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-16.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-100.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-7.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-107.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=0.3057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-13.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-109.7565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2246)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=1.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-19.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=59.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-18.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-118.8327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-6.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-14.4002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.8355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-25.8140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-12.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.3628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.3837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.7460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-122.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-116.4887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-7.8200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-15.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.8394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=12.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-26.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-99.6323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-116.5637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=1.1376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-7.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-120.8444)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.5322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-15.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-82.5548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-21.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.6086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.3719)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.7632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9261)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.6179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=5.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.8131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-8.9317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-8.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-14.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-11.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-123.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-23.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=4.3616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-19.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.9487)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.6059)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-8.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-18.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-114.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-20.9339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-22.8166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-24.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6760)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-6.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=8.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-10.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.1834)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=84.5891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-26.1251)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-100.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-20.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-22.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0945)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.1616)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0797)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=2.0248)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.6925)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7087)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-103.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-25.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=0.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2095)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-112.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.7646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.6779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=3.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1711)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-114.1775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-110.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=4.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-17.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-110.5387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-2.7730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-1.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-2.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBED3', mode='dfhf_CP', basis='adz', value=-1.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-18.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBED3', mode='dfhf_CP', basis='adz', value=0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-1.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-2.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBED3', mode='dfhf_CP', basis='adz', value=-92.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBED3', mode='dfhf_CP', basis='adz', value=-0.4393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.8625)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1975)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9265)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.9286)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.2925)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5830)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1758)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1448)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3613)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0439)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9540)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9232)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2303)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-125.2072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1275)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.5849)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5835)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3944)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0381)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0470)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.0411)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0422)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1264)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3604)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5961)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=70.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.9911)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2416)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-90.6867)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-21.3864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.6729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8867)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=5.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8471)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-103.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-18.9654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-111.4544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.0211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4887)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5555)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-20.4077)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-96.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-11.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-90.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=59.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=8.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1267)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8702)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-11.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=3.7200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-19.1413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.4211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=2.9878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.8231)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0046)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-18.2896)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0840)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-106.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-121.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-115.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-112.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-109.7039)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5344)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9991)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6546)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-17.6523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=18.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.0141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-13.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0171)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9906)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-22.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-18.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-16.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=8.1507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2904)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=1.9709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-18.2565)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=1.8782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=3.5834)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-12.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-25.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-119.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-19.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-116.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-25.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3149)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.2049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-18.2093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-78.8525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.4729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-118.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-93.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-111.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-19.6517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-113.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-12.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-14.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7316)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-101.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8704)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.4226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3404)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3571)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=1.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=3.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8401)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=1.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-114.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-23.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4498)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-112.2770)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-9.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=81.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4287)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-14.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-123.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-22.2960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-120.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=80.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=62.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-19.7405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.8676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=8.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=62.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-25.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5146)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7520)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9900)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8686)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-8.0054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=1.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5294)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-20.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-112.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-25.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-97.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7582)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4166)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6326)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-7.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-77.4334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9182)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.6285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4045)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.1265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-7.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-23.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-7.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-101.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-92.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-116.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-17.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-119.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-111.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-14.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-9.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-116.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=61.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-23.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-92.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-15.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-122.8221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=3.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0951)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-119.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=8.5742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-26.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-112.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2859)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-113.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=5.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-116.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-106.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-116.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=61.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-10.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.4227)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-95.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-14.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-114.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-12.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-118.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=0.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-86.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-120.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8075)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-117.2239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-18.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5886)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.4176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-26.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-116.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=58.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-25.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-6.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-114.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-77.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=69.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-19.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=3.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-101.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-105.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-115.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-12.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-10.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5663)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=1.9748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-88.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3211)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=4.3503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-109.7611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-9.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-119.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0998)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=5.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=9.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-110.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-5.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-28.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-110.0362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-115.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8404)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6612)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6233)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9012)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6013)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='PBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0641)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=67.2033)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=3.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.8619)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-13.6468)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-5.0966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9459)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0374)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-17.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9982)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4111)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=63.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-120.4810)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=5.3919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-5.6707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.3184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=2.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-5.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-119.0839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-15.5907)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=6.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-21.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-17.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-15.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=10.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=3.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-18.5262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=2.6364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.4373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-8.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=2.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-16.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-8.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=2.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-91.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-106.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-18.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-4.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-19.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-5.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.4826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1363)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=3.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0473)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.8914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-10.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.6516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-21.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=6.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-4.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-18.5484)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.5085)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-6.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-17.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-21.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-9.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-113.3383)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0058)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5910)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.3471)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=3.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=6.7996)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=2.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-23.1581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-17.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.0288)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=3.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-5.3544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=10.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-9.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=87.6364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-6.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.4868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-122.9718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=10.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=65.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-25.3048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.8415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1735)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-99.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-18.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-21.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-6.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=3.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.9052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-24.2689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.4607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-4.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5904)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-76.0161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-7.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-4.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-78.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-101.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-18.0115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.3696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-111.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0477)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-5.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-111.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-1.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=6.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-115.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-65.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-105.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-115.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3178)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8123)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-2.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-4.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1595)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-112.6573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2103)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=6.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-15.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-108.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-8.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-118.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=7.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=11.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.2727)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.5828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1897)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-3.0659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-16.7032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-91.0635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=-0.0750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0', mode='dfhf_CP', basis='def2qzvp', value=0.8055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.2199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-6.8773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='PBE0', mode='dfhf_CP', basis='adz', value=6.4691)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='PBE0', mode='dfhf_CP', basis='adz', value=1.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.3431)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-1.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-14.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE0', mode='dfhf_CP', basis='adz', value=1.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='PBE0', mode='dfhf_CP', basis='adz', value=-3.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-16.1984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-101.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE0', mode='dfhf_CP', basis='adz', value=-2.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-5.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-16.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1171)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.6119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1594)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.5836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-3.4081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.3134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=5.4939)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-114.2097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-10.0006)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-1.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0', mode='dfhf_CP', basis='adz', value=0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-16.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0', mode='dfhf_CP', basis='adz', value=1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0', mode='dfhf_CP', basis='adz', value=-0.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0', mode='dfhf_CP', basis='adz', value=-90.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.6826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.2527)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.3391)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0', mode='dfhf_CP', basis='adz', value=0.4240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-103.1228)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-103.4100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-10.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=4.8070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-23.9158)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-4.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7070)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-13.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-109.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-4.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7923)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-9.3593)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-118.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=0.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-5.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-14.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-106.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-122.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-116.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-6.1541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0278)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.6734)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-16.6667)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-18.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-20.6470)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-81.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-109.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-6.6497)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-21.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3461)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-22.4200)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=2.1951)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-10.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-23.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=13.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.6696)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4302)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9295)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6856)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=4.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-94.1417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=6.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-4.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-104.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-88.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-4.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.1757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.8534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-24.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-18.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4212)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=1.1342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-8.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=0.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=8.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=62.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-26.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-99.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.1048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-20.3916)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8531)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-7.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=1.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-4.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=4.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-20.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-113.1956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-25.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-5.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-4.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-105.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.4218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-97.6418)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=13.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9556)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-2.0040)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-3.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-17.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-120.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-112.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.7553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-6.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-115.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-76.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.3530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.4985)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.6030)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-0.7137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-110.3981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D2', mode='dfhf_CP', basis='def2qzvp', value=-1.6415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=3.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-90.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-21.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6825)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7867)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-95.8711)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-12.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-100.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=6.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-103.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=7.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-100.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-113.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-106.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-12.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-95.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-89.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=59.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=8.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.4921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-23.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-100.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-90.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-23.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.7621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=3.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=3.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-77.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=3.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=12.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=63.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-118.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-81.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-121.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-27.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-125.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-16.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-99.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-107.1441)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.3705)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.4972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8117)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0819)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-9.3269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5142)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-106.3715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.1672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1592)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=60.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.8269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=10.5217)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7352)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4674)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-122.8868)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.1199)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.1608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7379)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-106.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-121.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.9888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-80.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-16.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-109.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-105.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7562)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8499)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-21.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3204)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-99.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1065)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-96.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-97.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-24.8391)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6920)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.2808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.7943)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-101.5853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=20.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-23.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-21.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-108.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0555)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-123.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-117.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1714)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-81.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3707)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-108.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-13.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-99.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3721)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-110.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.2967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-119.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-114.1958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-81.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7058)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4555)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-119.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=3.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-79.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-24.4096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-16.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-21.7217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-16.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=8.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-108.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-124.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-120.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.2618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5626)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.5278)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-77.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=55.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=10.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-82.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-9.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8384)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6898)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.0654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0403)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-24.5624)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.2621)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.5717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8587)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1986)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-9.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0093)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5485)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2224)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7827)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-23.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-28.3866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1269)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-91.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6988)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-119.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-93.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-12.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.7731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-117.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=61.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.0655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=8.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-94.1652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-102.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.5973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0282)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7590)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-12.2603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.7366)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5830)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.5214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-105.2440)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6274)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-27.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4784)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6496)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-113.0270)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5867)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.5400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-112.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=14.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=6.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-93.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-101.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=6.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.5630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=22.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0792)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2943)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-122.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7916)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-23.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.9684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4029)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-21.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=12.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.6163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-103.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-104.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-88.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-24.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3968)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-113.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=82.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.7770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.0779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-113.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-24.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-112.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-13.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=8.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=84.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-124.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-121.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=84.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=63.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=8.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=62.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-99.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-112.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-105.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-97.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=13.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-7.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-76.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-8.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-79.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-102.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-103.7147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-104.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-105.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-22.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-101.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.7705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-17.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-119.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-9.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=62.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-23.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-123.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-119.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=9.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-111.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-113.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-67.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-106.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=62.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-10.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.7426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-94.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-14.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-114.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-12.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-118.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-86.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-120.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-113.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=3.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-117.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-24.6104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=1.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-26.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-116.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=58.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-25.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-6.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-76.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=70.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=4.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-101.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-105.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=2.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-15.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-87.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-109.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-16.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-109.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-9.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-120.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=6.4498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=10.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-109.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-5.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-28.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-109.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-115.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-4.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-112.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=7.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-19.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=81.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=5.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-20.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.0137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-91.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-3.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-11.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-18.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-92.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-2.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-0.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='PBE0D2', mode='dfhf_CP', basis='adz', value=-1.0202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-61.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=62.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-80.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=0.9776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-17.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7570)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=19.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=2.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=2.5865)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.2387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7863)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-18.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=3.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-8.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=2.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=0.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2591)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=2.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-25.8172)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7749)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7298)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-7.7024)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-106.9521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-88.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=2.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=8.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.6997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=1.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4600)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-7.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-6.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=1.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9945)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=83.2348)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-109.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-17.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6373)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-7.7733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-82.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=3.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.3876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-20.0127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-120.5747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=3.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-80.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-19.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-24.7950)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=0.5480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-19.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-10.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=0.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-92.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-6.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-78.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-8.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0253)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-12.6223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=3.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=6.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-22.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-23.3579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.7334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-23.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-11.1436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.9948)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-8.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-14.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-125.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-22.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-8.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-121.8022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.2685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=85.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=63.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.1600)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.8717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=8.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=62.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-26.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.4272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8221)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-100.0422)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-8.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=1.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-4.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=4.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-21.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-113.4480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5300)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-19.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.7105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=1.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-105.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-106.5623)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.1318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-6.5689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.2866)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=3.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-118.0637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=5.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-5.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-17.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-110.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-9.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-120.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=6.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-3.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=10.7334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.1548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-1.7259)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-2.5992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3', mode='dfhf_CP', basis='def2qzvp', value=-0.8788)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.7249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-15.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.5444)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-17.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-103.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-17.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-13.0176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.0401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-107.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-96.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-101.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3688)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=6.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1476)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-103.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=7.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-111.7713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-100.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-114.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.4565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-15.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-111.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-13.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.9427)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6634)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-96.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=5.0806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-90.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=59.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=8.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-101.2331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-91.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-68.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=10.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.2219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.7658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-77.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9991)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=12.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=63.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-118.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-116.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-81.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-122.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-27.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-125.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-100.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3851)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-108.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-106.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-77.2838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-15.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2435)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5463)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=59.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1353)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.1082)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=10.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3762)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-123.0854)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-106.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-88.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=8.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-106.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-122.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-116.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-111.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-80.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-109.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5954)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-105.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1491)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-17.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-15.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0834)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9779)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4497)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-97.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.8055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.2492)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-28.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=82.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=5.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7342)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2642)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-101.8184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=67.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3628)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3523)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=20.0803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3002)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2077)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-21.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-108.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1977)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-123.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-117.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.5920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-82.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-109.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0920)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6952)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.3701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-13.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.9941)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-99.4774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.6955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.3684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0301)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-119.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-114.4947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-81.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-120.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-79.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.1910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-24.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.8668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=8.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.2323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.8556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-108.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.3187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.7310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-124.7025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.9756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9516)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4025)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-72.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1818)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7660)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6659)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.3197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-77.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=55.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=10.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2412)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-82.3538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5919)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-116.5510)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.5339)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-111.3260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-24.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.0357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-112.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.8189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.2089)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-24.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.2141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.1328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-118.8741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.5111)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-87.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-112.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=6.1543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8466)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2829)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6232)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1724)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=12.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-119.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-93.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-118.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=61.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=7.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-15.9135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=5.5542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.4029)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.0801)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0278)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-111.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6210)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.5413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-61.9579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6017)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3980)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-97.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-85.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2528)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.3346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-105.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0946)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-94.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-87.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.8882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.9971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-112.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=14.3777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1960)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1821)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8640)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-102.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=5.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8329)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=11.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.4741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9292)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=23.5092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6766)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-104.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-88.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.1402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-24.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-21.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-114.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=81.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=5.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-114.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-24.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-113.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-13.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=8.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-10.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=84.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-124.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-121.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=83.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=62.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=8.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=61.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-99.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-22.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.6692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-113.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-105.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-97.7025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=12.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-8.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-77.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-17.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-79.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-103.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-104.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-104.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.1356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-106.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9757)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-7.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-101.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.4561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-117.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-17.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-119.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-116.8616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=61.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-23.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-15.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-123.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-119.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=9.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-111.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-113.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=5.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-116.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-67.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-106.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-116.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=61.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-95.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-14.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-114.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-13.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-119.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.0422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-86.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-120.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-113.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=3.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-117.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-24.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=1.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-26.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-117.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=58.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-25.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-6.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-76.6835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=70.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.2730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-101.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-105.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-11.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=2.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-16.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-88.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-109.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-17.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-109.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-9.8094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-120.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=6.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=10.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-109.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-5.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-28.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-110.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-115.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-4.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-112.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=7.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-19.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=81.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=4.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-20.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.8824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=0.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.2192)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.5507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.7037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-3.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-12.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-18.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-92.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-2.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.6277)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-0.9321)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='PBE0D3', mode='dfhf_CP', basis='adz', value=-1.0575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0029)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2517)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3023)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4355)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.2178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-68.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.6932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=63.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-126.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3383)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6281)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8795)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9685)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8520)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3748)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.6250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.5266)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.0815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0114)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5546)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.4296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1798)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=68.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=20.4608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-82.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5978)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9584)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.9290)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8059)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2164)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.8908)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.4364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.7098)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8292)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-72.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2175)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=55.8223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-82.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0273)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6834)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7938)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.2585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0904)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9950)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1262)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7189)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-61.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=77.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-85.9729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7123)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.0357)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6841)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6171)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.4191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1335)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=22.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.4135)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1742)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.8054)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1569)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3649)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9787)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2967)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=83.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5576)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0601)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2157)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4719)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8101)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.8827)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4842)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=86.0800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=85.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=63.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0403)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5717)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7888)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8805)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-103.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7931)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3018)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.2334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.8000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.6543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-123.6048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.9132)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5915)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3917)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-67.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.5947)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6432)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3653)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-86.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.6099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=58.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-76.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=71.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0526)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-88.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.7103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=82.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9377)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6150)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.8343)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=2.8415)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1330)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-15.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-17.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-102.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-7.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-17.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6120)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-107.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-96.0498)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-12.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-101.0627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=6.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-7.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-103.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=7.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-111.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-100.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-113.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8349)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.2518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.5573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-14.9057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4567)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1257)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-11.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.7370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-101.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-90.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-26.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-68.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=10.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7073)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-7.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=63.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-118.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-92.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-22.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-116.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5836)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-13.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-108.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-9.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9527)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-106.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8990)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-14.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-25.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-24.2499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-79.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=10.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-122.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-92.2188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.5197)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-106.2972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-111.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-80.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-16.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-109.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-25.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-26.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-25.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-105.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2948)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.2405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3880)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=13.4319)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-96.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-97.8038)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-17.8309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2034)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-13.2125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-99.2958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=5.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-22.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-16.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=8.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=2.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0826)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.1552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-12.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.0340)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9723)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-115.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-9.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=2.8780)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.9235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-116.3808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.4715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-28.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4525)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-116.9332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9430)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3802)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.4408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-94.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-102.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7542)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.6004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4504)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-105.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-20.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2543)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2572)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-14.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-11.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3771)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3309)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-7.7475)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=6.3486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-122.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=5.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6885)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-7.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-22.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-10.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-113.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-20.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=82.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-11.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-22.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.4807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=5.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-114.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-24.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0407)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.6478)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7417)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1600)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7474)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-13.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-115.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=8.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-10.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=84.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-14.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-124.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-22.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.6064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-121.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=84.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=62.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.8867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=8.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=62.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-26.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-99.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-22.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=2.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-20.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-112.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-25.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.3497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-105.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-97.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=12.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-25.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.0223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-7.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-8.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-76.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-17.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-9.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-79.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-102.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-26.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-103.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-104.7354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-105.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2137)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.2627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-23.1004)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0168)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=3.8365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-119.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=9.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-26.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-111.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-113.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=5.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-115.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-66.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-106.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-116.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=61.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-11.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=5.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-95.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-14.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-114.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-12.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-118.9699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.5910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-86.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-120.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-6.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-113.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=3.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-117.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-24.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-18.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=1.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-26.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-116.9620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-25.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-114.9652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-76.5035)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=70.7053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.2774)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.3334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9423)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.1399)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=2.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-15.8380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-87.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-109.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.9959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-17.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-109.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-9.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-120.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.8899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=6.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=10.7359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-109.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-5.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-28.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.4994)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-109.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-115.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.1320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-4.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-112.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=7.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-19.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=81.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=4.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-3.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-20.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-2.3785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='PBE0D3BJ', mode='dfhf_CP', basis='adz', value=-1.1679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9183)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1326)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1810)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4369)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3225)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-5.9529)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0129)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7145)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-88.5956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3094)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2852)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0443)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8074)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.8586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=64.3163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6354)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=12.9591)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.3966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3408)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2763)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-4.5586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-15.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-23.2331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1078)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-20.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-112.9060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.9608)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-11.4284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4209)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1773)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-107.6579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-16.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-116.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-112.6645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-80.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.8429)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=4.8607)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-117.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=4.7672)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.1599)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6580)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7045)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0513)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8903)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6547)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4522)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=6.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-20.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1728)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-16.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-15.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=11.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=3.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-15.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-4.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=3.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=3.3632)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-14.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-84.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-5.6193)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1815)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6743)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-7.5249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3483)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3725)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.1489)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-116.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-91.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-4.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2858)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.6284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=4.7118)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6260)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-102.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-86.0636)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.0493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.9050)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-112.8970)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-22.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5877)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-109.7532)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9310)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-9.2032)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8065)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9178)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-122.2240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.6574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5346)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.5440)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3214)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=65.6428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.4984)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-8.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=3.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=11.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=66.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-24.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.4213)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0744)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5635)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-98.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.2736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-21.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7678)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-5.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=3.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.1361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=6.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-18.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-110.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5240)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-101.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-95.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=15.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-23.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7069)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-4.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-75.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-16.2087)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4761)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5681)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4127)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-100.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7668)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5162)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2518)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-102.0477)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.9414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4944)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7661)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-4.4762)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3206)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-99.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-1.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.5736)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.3219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-15.6564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.6144)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-6.8494)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7618)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.5629)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-114.0424)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2043)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6170)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7410)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-84.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-117.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.3485)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2669)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-112.2579)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0799)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-16.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2444)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-102.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-113.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-9.1577)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-3.8981)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-9.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=4.0684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-12.0880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-86.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5708)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2429)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.5790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=7.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5583)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.6926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-14.3545)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5131)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-117.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2125)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=13.2703)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5347)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=2.6109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-4.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-26.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-108.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=1.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-113.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.8683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-0.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.7001)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-110.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=10.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-17.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=84.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=8.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBE', mode='dfhf_CP', basis='def2qzvp', value=-2.0138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='WPBE', mode='dfhf_CP', basis='adz', value=0.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='WPBE', mode='dfhf_CP', basis='adz', value=0.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='WPBE', mode='dfhf_CP', basis='adz', value=0.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='WPBE', mode='dfhf_CP', basis='adz', value=0.3764)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-6.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-16.4560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=0.0161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=0.3664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3222)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-100.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-90.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-23.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-25.6451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.7140)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4423)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=1.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-122.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2922)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-26.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-25.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-105.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.0479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=4.5016)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7178)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-17.6198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-114.8962)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.5433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-6.3324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.5081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=2.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2814)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-17.8945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-19.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-5.1479)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-8.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-18.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-22.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-11.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-113.8369)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=84.1845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-8.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9918)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=1.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-4.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=4.8574)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-16.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-109.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-2.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-9.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-119.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3', mode='dfhf_CP', basis='def2qzvp', value=-3.0445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2307)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3056)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3957)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3400)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.4564)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.9698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=8.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-95.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-89.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-90.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-67.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.4069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=64.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-121.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-125.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-106.1468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6434)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.0252)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4995)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=59.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=11.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.8023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-80.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.1767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=15.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-98.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=84.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-101.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=68.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=22.4480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-107.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.0972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.0257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-98.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-81.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.7163)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6014)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-13.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9573)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3337)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4181)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-28.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.9849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4368)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.8010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2152)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7816)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.4599)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0966)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=80.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.8138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-77.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3680)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-86.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.1327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0014)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.7257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1953)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4933)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.0194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3829)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8992)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-93.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-60.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.3986)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.9639)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.4327)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2698)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0426)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4958)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-97.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-110.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9144)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8888)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.0039)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7361)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6468)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=16.0276)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6306)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3119)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.5648)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.5371)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=13.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1976)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9862)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4820)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=3.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.5484)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-10.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=84.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.9748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.7794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-23.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=87.4340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-124.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-21.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.5126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-120.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=86.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=63.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.5838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=62.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-26.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-99.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-22.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-20.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-24.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-96.9165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=14.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-7.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-76.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-8.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-79.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-102.3755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.8845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-92.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-122.9494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=10.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.0092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9656)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8436)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-66.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-105.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-115.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=61.6083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9082)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-94.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-14.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-113.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-12.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-117.9357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6620)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-85.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-119.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.3222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.0429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-6.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=5.6814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-112.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=4.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6508)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-116.5987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4097)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.6173)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.6759)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=58.6009)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-25.1126)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0388)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-100.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-104.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-11.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=2.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-15.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-87.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-4.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-16.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-108.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-9.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-118.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=7.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=12.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-5.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-27.5432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-109.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-114.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-111.9206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=9.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-18.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=83.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=6.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-3.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-19.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-17.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.0723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-91.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.4637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.9312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3067)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.5104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-2.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.4817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.3772)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=1.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-1.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='def2qzvp', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-60.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=62.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-80.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=21.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=3.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=3.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-89.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.7531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-110.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7771)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5332)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-15.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2634)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-102.0299)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-102.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=8.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-110.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-100.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-113.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-110.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-105.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0201)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-95.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-89.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=59.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=9.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.3530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-100.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-90.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-67.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=11.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-10.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-77.2107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=13.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2341)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-106.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-13.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-107.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.7618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-105.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-76.8892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.7582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=59.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-117.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-13.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.6803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-79.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=11.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-122.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-91.2091)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.0282)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0465)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2331)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-105.4855)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7268)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-105.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-120.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-114.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-110.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-79.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-108.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-26.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-104.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-10.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.5726)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.4793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.4039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-15.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=15.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-98.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-96.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-97.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-114.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8705)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6679)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=84.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.0817)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4322)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.4540)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0775)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-119.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6242)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.7169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-20.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=22.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1074)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-98.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-109.1728)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0039)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8072)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-79.1924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.3156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=9.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.9104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-10.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-92.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-107.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.0233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-123.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4010)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-13.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-119.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8074)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=3.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-115.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5071)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9645)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1202)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-92.3676)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0190)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2460)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1541)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.2219)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-93.4280)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4578)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6230)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.2638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-28.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-116.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.5466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=79.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0673)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5076)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-77.8153)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7823)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3675)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-117.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-92.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5316)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.8643)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-116.7424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=61.8198)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.4497)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.9803)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3624)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.4143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0615)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.9156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-93.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-102.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-110.4655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.5121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-60.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-20.1837)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8828)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1557)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-96.0955)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9104)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-20.3382)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7513)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4254)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6776)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.4179)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-104.3091)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-20.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0846)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0007)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-97.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-110.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-27.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-112.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-118.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1544)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.5413)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.1223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-111.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-10.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-111.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=15.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=3.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=7.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-92.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.0405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9110)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.4654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.3249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.0711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=13.5400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-102.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8575)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4272)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=3.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.4360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6239)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-87.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5951)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-20.0066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6195)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4411)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5293)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7364)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4092)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1306)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-10.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-113.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.8308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=83.2522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-11.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-113.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4964)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9654)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5935)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.5878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=9.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=86.4436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-123.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-21.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-119.7325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=85.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=63.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=9.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=62.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.6743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-98.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.8747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-111.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-104.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-96.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=14.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.3744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-76.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.7505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-8.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-79.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-102.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-102.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-103.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-105.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.6214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-13.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-22.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-7.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-100.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-91.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-116.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-118.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-111.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-13.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-115.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=62.4606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-23.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-91.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-15.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-122.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-118.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=10.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-111.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.4844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-112.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-115.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-66.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-105.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-115.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=61.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-11.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-94.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-14.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-113.5693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-12.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-117.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-85.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-119.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-112.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=4.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-116.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-24.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-115.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=58.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-25.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-6.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-113.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-75.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=71.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-100.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-104.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-114.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-11.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-11.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=2.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-15.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-87.1185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-108.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=6.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-4.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-16.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-108.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-9.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-118.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=7.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=11.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-108.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-5.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-27.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-109.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-114.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-111.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=8.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-18.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=82.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=5.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-19.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.9349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-91.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=0.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.8379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-3.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-11.8106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-17.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-91.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.1835)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.9586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-2.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=-0.2204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='WPBED3BJ', mode='dfhf_CP', basis='adz', value=1.2057)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1022)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0449)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0926)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1810)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1316)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.4891)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.2079)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6169)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0809)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2090)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.0785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3438)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4808)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1445)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1710)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1603)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1914)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2754)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0207)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1956)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.9712)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4267)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0055)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.9652)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3229)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1690)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1167)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3216)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2203)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0112)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3124)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0745)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0196)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2902)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6882)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2037)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0881)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0178)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=14.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3924)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5081)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.7682)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5042)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.1733)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1505)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2360)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6249)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0883)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1155)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8895)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0285)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6467)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0713)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.5656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=86.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=64.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=65.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-98.8999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6362)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.0585)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5450)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2064)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.0646)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9000)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.6088)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0514)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.7405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3750)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.9811)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4722)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.5437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.9394)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0194)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2447)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3614)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.0864)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1592)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4530)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0777)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5718)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=66.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-79.6191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9949)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1611)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0559)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.9759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-101.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.8270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-105.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-94.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-99.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-100.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=8.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-108.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-99.2392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-109.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-94.5637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-88.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=61.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=11.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-99.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-88.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-66.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=12.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.8177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-76.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=13.7421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.5163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=64.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-115.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-90.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.6885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.6023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3243)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-119.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3737)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-122.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-98.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6701)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-106.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.7365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-76.4512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=63.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-115.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-78.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=11.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-120.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-89.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-86.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=10.8421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-118.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.5046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-108.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-79.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-25.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-103.5241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.5042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.7763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=15.5846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-96.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-94.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-96.1900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.3088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-19.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-26.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=83.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.6108)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3236)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.4325)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.6038)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=22.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-106.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-120.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.7240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.0192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.8755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-80.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-106.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-97.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.0466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-116.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-80.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-116.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.0021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-77.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=10.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-91.5840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-105.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-122.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-117.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-27.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-93.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.6358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1796)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=56.2525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=12.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.4345)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.0156)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.7882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-109.5393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-19.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-91.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.9059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4873)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.6245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.8736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.1773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-92.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-115.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.8915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-115.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-85.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8631)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1715)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-87.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1800)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.8453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-26.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=79.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-90.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-77.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.7138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1061)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-85.1365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.6637)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2976)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.9871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=13.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.4116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.6189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-116.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-91.7757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-115.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=62.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=8.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-90.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-92.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-101.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-108.9493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-59.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=77.7712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-95.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-19.3015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-84.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-103.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.0844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-96.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-108.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-25.2640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-117.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=15.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.2670)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0568)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.1008)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-86.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.5881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-10.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=15.8997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=8.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.1222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-90.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-100.1748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=8.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=12.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=26.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-19.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-120.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-19.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.1908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=13.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-101.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-102.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-86.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.0263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.2136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-111.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-19.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=83.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.2074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-22.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-109.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-11.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.3373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=10.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=86.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-121.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-20.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-117.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=85.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=64.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.4687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=10.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=65.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-98.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-18.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-102.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-95.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=14.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.9647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-75.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-78.7660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-100.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-102.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-102.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.0162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-99.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-91.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-15.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-116.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-7.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=63.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-21.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-91.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-14.6675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-120.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-116.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=10.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=7.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.7024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-65.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-104.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=64.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-6.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-93.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-116.0944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-84.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-117.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-111.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=4.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-23.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-114.2855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=59.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-24.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-5.3445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-75.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=72.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=5.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-99.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-103.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-113.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-9.6706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=3.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-12.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-86.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-3.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-13.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-8.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-117.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=7.5217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=11.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-4.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-26.0160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-107.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-112.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.1713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-110.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=8.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=81.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=6.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-17.7747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-1.0638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-90.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-2.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-10.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-16.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-89.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=2.0470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=-0.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYP', mode='dfhf_dfmp_CP', basis='adz', value=0.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=21.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3139)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4740)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5973)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0845)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.8610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.0130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.1380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-68.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.2259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-125.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.3081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.6534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.9454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.3477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.6667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.7275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=68.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=20.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.9731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.6490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.3674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.2827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.1260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0372)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=91.2765)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0993)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-72.4402)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8250)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=55.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.3365)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6711)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8660)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1606)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.3694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.4104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.1635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.6000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3165)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9020)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4558)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7913)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6709)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.7350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=79.1217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2019)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-78.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8409)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0392)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.0011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2684)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9462)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.7521)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3786)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3324)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0314)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-62.0190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=77.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-85.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.1640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8245)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=15.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.9095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=23.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.5236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.5892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.8712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=86.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.6565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.0127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-67.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=61.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.9115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=58.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-76.3871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=71.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1028)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3041)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.4594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.2128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.0061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=82.2909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-61.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=63.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-80.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=23.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.2596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-90.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.9466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.9336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.5008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-102.1720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.9371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-106.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-95.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-100.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=6.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-102.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=7.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-100.0234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-113.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-106.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-95.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-89.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=59.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=9.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-100.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-90.2485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.6796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-68.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=10.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.4095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-77.1960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.9287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.2652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=12.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=63.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-117.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-91.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-80.8349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-121.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-26.4211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-124.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-99.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-106.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-107.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.8630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-105.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-76.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.7229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=59.9670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-116.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.9534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.4816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-79.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=10.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-121.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-91.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-105.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-87.6570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=9.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-105.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-120.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-80.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.7926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-108.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-26.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-104.6857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.3288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.2860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.4058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=13.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-98.5299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-96.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-96.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.4585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.1882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-27.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.3750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=82.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-100.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=67.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-119.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.3034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=20.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-107.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.7711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-121.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-116.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.7196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-81.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-108.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.7899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-98.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-109.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-113.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-81.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.7704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-79.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.3318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.3028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=9.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.7166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.7298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.2763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-107.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.1121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.3551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-123.2623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.4488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-28.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-94.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.1574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.6486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.0513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=89.9631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-72.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.3696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.7954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-95.2420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-76.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-113.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=55.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=10.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.7958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-81.8089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.1832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.7701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.9150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.2086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.1435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.3614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.1669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.8417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-93.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-117.4327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-117.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-86.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=6.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.9595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-109.4262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-88.5154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-108.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-27.5769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-116.0026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=78.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.6849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-91.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-78.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-86.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.6223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=12.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-117.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.1164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-116.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=61.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=7.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-93.6084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-102.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-61.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.3777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=76.5688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-96.1206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.6042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-85.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-104.3823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.4574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-97.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-26.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.2357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.7023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=6.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=14.6062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-93.4392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-87.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.8169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=15.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=7.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.3191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.7778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-101.2466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=6.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=11.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=24.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.2797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-121.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.1182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.3822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=12.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-102.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-103.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-87.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.9717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-112.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-20.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=82.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.7644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-112.9113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.5593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-23.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=8.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=84.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-123.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-21.8734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-119.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=84.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=62.7937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=8.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=62.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-99.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.4707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-104.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-96.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=13.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-7.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.1595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-76.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-8.5351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-79.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-101.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-102.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.8505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.7415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-103.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-105.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.2023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.4345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.5738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.4612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-100.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.9673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-16.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-110.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-13.9121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=62.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-22.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-92.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-121.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.1174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=9.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.0159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-112.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.9383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-67.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-105.4986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=61.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-94.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-113.5722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-12.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-117.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-86.0574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.6449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-112.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=3.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-116.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.9098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.1307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-25.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-115.8358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=58.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-24.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-6.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-113.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-76.1538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=70.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.7176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=4.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.1543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-100.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-104.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.2445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-10.8538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.0248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=2.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-14.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-87.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-108.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.8787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.2706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-15.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-108.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-9.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-118.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.6030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=6.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=11.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-108.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-5.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-27.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-109.2611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-114.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.2684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-4.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-111.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=7.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.1277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-18.3217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=81.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=5.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-19.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=1.1680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.2956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-91.6507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.3435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-3.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-11.9057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-17.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-91.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-2.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.1770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.8581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.7671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD2', mode='dfhf_dfmp_CP', basis='adz', value=-0.9843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.5599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=22.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.7344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.8376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-107.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.9271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.5479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.2409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.8366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.3570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.7434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-68.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.8037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.1531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.1060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-125.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.2005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.1393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.7556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=60.1142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.7292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.7962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.6881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.3946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.7684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=68.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=20.7085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.3124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.1266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-82.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.0059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.6204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.3576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.8995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.7659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=91.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-72.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.3112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=55.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.1090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-82.2086)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0191)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8393)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.2435)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8115)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5677)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.1241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.9635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.4383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.9788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0425)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6843)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5665)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9548)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1503)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6226)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9326)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2711)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.7814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=78.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-78.4064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8853)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.8524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.7644)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.0752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.7937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2297)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9051)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.6162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.6559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.5780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=77.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-85.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.1761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.8667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.7271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.2540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=15.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.8605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.7801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.8738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=24.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.7991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.5941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.9992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.4539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.1459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.9228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.9073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.0678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.7233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.9162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.1353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.9782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.5063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.6195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.4320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.9963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.6376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.9922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.7995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.7895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.9840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.2200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.9902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.8019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-67.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=61.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.6924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=58.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-76.4758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=71.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.4719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.1316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.7951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.3372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.2869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.0469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.8776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=82.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.0419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.2520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-61.4995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=63.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-80.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=24.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.5212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-90.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.7218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.0091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-102.2463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-106.6061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-95.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-100.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=6.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.5694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-102.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.8425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=7.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.3756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.3662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-100.1005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-113.0879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.1385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.1099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-106.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-95.6225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.2776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-89.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=59.8549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=9.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.6907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-100.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-90.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.7443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.9214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-67.9945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=11.0511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.9018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.4208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.6864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.3736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.6509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.7297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-77.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.8025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=12.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.3826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=63.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-117.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-91.3375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.9325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.2711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.8661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-80.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-121.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-26.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-124.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-99.4389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-106.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-107.6566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-106.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-77.0019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.8429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=60.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-116.8440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.5951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-79.6131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=10.5830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.4343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-121.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-91.2512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.5106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-105.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-87.7390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.8161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=9.5901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.9954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-105.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-120.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.9836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-80.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.7380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-108.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-26.0862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-104.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.2699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.3210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=13.7975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-98.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-96.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-97.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.5100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.2814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.0459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-27.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=82.4924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.4734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.5123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.6799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-100.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.4467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=67.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.5947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.1279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-119.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-20.4938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.5924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=20.7186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.7840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.0051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-107.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.7379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-121.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-116.2484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.7100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-81.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-108.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.0102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-98.5527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.2101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.5865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-109.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.0920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-113.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-81.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.5495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-79.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.7550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.1014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.3541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.0675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.8558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=9.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.6787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.3903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.5577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.1628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.5510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-107.4286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.0873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.6460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.2029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.0320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-123.2817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.2858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.8953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-28.3990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-94.7727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.1629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=89.8725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.3979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.1621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-72.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.3583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.2104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-95.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-76.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-113.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=55.4535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=11.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-81.8442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.2507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.7960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.1344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.5626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.7042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-20.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.3182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.3511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.6188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.8881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.8919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.6082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.1503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.2250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-93.5579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-117.4090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-117.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-86.6274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=6.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-109.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-88.5985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-108.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-27.5741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-116.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.8180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=78.0647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.0360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-91.5050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.8414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-78.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-86.4954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.2632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.1831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.4790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=12.8541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.3729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-117.8212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.9439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.3344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.6663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.1238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-116.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=61.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.4417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=7.8778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-93.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.0253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.3947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-102.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.4965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.5966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.6294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-61.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.9889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.4685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=76.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-96.1956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-20.3071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.0848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-85.1346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.5288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-104.4155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-20.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-97.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.2361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-26.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7445)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.4888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-112.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.6690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.5821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.1034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=6.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=14.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.4608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.0017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.1778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-93.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.0132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.7436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-87.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.1519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.7523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.7675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.4800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.9141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=14.9513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=7.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.1631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.6529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-101.3128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.3580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=6.5229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.8258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=11.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.0285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.5370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=25.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-121.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.9743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-20.9331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=12.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-102.8976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.9958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-103.2656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-87.3558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.5157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.4688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.6524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.0874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.1036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-112.5829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-20.3153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=82.2935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.2698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.3305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.8801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.7959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-112.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.9473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-23.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-112.0107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.9570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.1137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.7496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.3311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=8.8027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.0289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=84.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.2651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.4913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-123.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.6703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-21.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.7449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-119.3150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=84.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=62.7382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.2643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.5423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.8207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=9.2381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=62.7386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.5776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-99.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.6800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.7220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.9926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-104.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-96.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=13.3246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.5079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-7.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-76.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.9532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-8.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.4658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-79.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.8848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-101.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-103.0538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.8662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-103.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-105.3742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.8368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-100.6823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.9653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-16.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-110.9555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-13.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.2190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.4170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=62.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-22.9919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-92.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-121.9682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.0956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=9.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.0897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.1223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.9855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-112.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=6.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.1943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-66.8336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-105.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=62.0662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.3904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.4709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-94.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-113.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-12.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-117.6316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.3963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-86.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.9590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.4250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.3590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-112.3097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=3.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-116.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.1505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.1347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.0627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-25.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-115.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=58.6618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-24.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-6.5493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-113.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-76.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=70.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.3441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=4.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.1333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.5275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-100.7846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-104.6756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.1852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-10.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.7881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=2.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-14.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-87.3828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-108.8173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.8264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-15.5362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-108.5679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-9.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-118.6972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.6308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=6.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=10.9581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-108.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-5.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-27.2050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-109.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-114.3821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-4.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-111.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=7.8503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.9944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-18.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=81.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=5.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-19.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.4495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.5968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=0.6151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.0256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-91.7564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.7497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.9026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-3.4633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-11.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-17.6309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-91.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-2.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.3620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.6527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.2885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=1.1327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.7160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.6753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3', mode='dfhf_dfmp_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=21.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.9376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.0461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.3059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.6928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.9728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.5091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.9200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.8152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.9209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.4206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.7256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.3787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.3642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.8003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.1688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-89.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=59.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.3886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.8693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.8810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-90.6408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.0851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-68.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.1480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.0565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.5950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.0657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.0330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.8665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.8733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.8866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-125.1502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.7514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-100.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.0841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.7329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.0122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=60.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.6426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.8731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.5361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.6668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.5539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.0203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.1077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-121.0766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.9865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-80.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.3463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.3110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.6075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.2781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.4847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7019)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.9381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-98.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6631)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.5735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.3898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.7295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.6341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.7471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.6474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.5278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=68.5996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.2595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.5872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=20.8532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.6253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.3220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.2383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.6259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.7441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.9528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0958)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.6762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.1126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-98.9386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.8785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.2318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.3498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.2849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.6196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.4101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.1736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.7620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.4926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.1309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.2755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.1089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.7529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-108.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-124.0027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-28.7007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.2649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.4765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.0932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=91.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.5392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-72.3278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-95.3723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-76.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.4153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=56.0057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.1127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-81.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.1486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.1783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-26.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.9866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.9533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.5382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.2953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.8483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.2679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.1416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.9582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.1604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.9361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.9311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.3111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.1253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.6063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.2926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.4810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.7952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-88.9334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.1372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.4527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.9797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.5478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=79.2968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.7908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-78.2963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.6532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.6660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.3609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-117.4147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.4664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=8.0942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.9442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.0156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.5720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.7592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.1675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-61.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0770)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.5363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=77.6422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.1264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-96.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-85.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.9327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.4207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.7657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-110.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.5850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.8894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.3714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.8355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.2626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.8692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.3842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.3393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-93.7903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.9906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.1205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.0673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=15.1158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.1358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.9023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.5128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.0478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.2192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3405)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=23.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.4849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.9171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.9762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-21.4851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0441)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=12.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.6009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.9108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.1809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9002)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.2767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.6244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.6086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.8219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.2970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.9687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.9720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.6481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.6048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=83.6184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.9379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.7010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1892)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.8681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.9502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.5426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.4521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.9199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.0587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.1664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=86.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.3052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-123.8472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.2865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.7656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-120.2211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=85.4358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=63.6475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=9.1454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.9671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5186)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-99.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.6834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.4940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.3283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-20.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.4992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.1306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.7003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-97.3459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=13.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2712)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.9614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-7.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-77.0181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.9771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-8.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-79.5317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.8714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-102.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-103.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.3922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-104.3065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.9310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-22.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.7603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.4713)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.6634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.1321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.7198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-13.8950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.4115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.1953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.9877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=62.4923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-23.2533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-122.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.2169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.8039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=10.0660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-111.6340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.7804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-113.0613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.0557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.6117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-67.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-106.2033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=61.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.4996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.5822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-94.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-14.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.1572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.4887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-12.3429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-118.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.3155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-86.3815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.6986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.2816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.5407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4477)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.3172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.7525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.9038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=3.7595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-24.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.5632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.8337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-116.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=58.6936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-25.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-6.4749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.4257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-76.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=71.5233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=4.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.6500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-101.1696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-105.2080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-115.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.0976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-10.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.3446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=2.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-15.0509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-87.6616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4663)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.2974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.4142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.4461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-16.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-9.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-119.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=6.6174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.6661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=11.1557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.3406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.1423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-5.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-27.7707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-109.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-114.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.5849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.9978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-4.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-112.1697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=7.9979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.7572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=82.2469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=5.3813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.2915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-19.5889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.2927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.1493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.2732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.4087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-17.8339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.0575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-91.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.3012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.3896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7797)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-3.4682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-11.7771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-18.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-92.0476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-2.0082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.7440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.9486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=1.0821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-1.6504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.1008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.5474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.8518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.6397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='def2qzvp', value=-0.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-61.3574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=63.4956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-80.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-030MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001HIE-099GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-071LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-154LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LEU-190THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=23.7342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001LYS-027THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-005GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-027VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-031VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.2172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001MET-047GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001PRO-046ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001SER-030GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ALA-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-006GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-90.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-020PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ARG-046LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-022GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.9503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASN-026ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002ASP-145HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-005GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-006GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LEU-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-006GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-007ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-075ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002LYS-082TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.3996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002MET-050ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-012VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-138SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002TRP-139LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-009TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-042PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-043HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='002VAL-046SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ALA-007THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003GLU-006GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.8600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-065SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003ILE-067TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LEU-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003LYS-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003PRO-025ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003SER-096ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-181VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003THR-182GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-163PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TRP-167GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-028VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-030GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4675)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-056ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-073CYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-074SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003TYR-096HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-009TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-012GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-036PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-083PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-024THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-057ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.1197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-056GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8673)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLU-039THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.1886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-010TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-032HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-180LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LEU-183LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-030ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-031ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004LYS-323PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-116VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-135LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PHE-160PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-007LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-009TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-026TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-029PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-068VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-074ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004PRO-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-027VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004SER-030MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-078LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-132LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.8302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004THR-164GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.3306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-014ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TRP-016LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-075PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004TYR-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004VAL-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ALA-019PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-012GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-106.4067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-95.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ARG-158LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-103GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.2990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ASP-128ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.2691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-054SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-234TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005ILE-277LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-010TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-011PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-015LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-023GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-025LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-030LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-032MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-037ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-083HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-106TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005LEU-191TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-022VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-037PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-043TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-049LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-050TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-155SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-162GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PHE-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005PRO-196ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005SER-028VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005TYR-168VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-008GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-037ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='005VAL-039SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ALA-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ARG-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-010THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006ASP-116VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006GLU-010TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-319TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006LEU-323PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-018ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-039THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-050VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-061PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1711)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006PHE-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006THR-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-026TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006TRP-040LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-020VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-023MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-026LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=7.7045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-99.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.0007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-157ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007THR-031LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007TYR-053TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-022SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.6738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.0254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.7215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-043THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.2312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-065VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.9622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008MET-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-042LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-044ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-099HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-101HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PRO-183ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.7619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-093TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-250PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TRP-252GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.8697)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008TYR-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-039TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0805)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-95.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.5498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-89.0886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=59.8876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=9.7084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.0034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.7192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-90.1494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.6295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-67.9363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=11.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2460)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-034VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.9989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-163TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-027ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.6301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-100THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-015ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-304SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011HIE-306ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-017LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-018ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3919)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-024ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-037LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-038TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-042LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ILE-045VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-062HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011LEU-102TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PHE-044TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011PRO-020ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.2564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-017ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011THR-166GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.5075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-018ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.8619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-023ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-051GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-102GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011TYR-169ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-144PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-153LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011VAL-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-055PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-059PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ALA-139ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASN-048PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-024LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-77.1786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-026TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ASP-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-034GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-044TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLN-048TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-017GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-019THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-068HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=12.7014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012GLU-070TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-015ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012HIE-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-016THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2480)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4651)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASN-149ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=63.1969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.1489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.8069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-095HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.6788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-017LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ILE-105ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-017ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-063ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-066ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-069LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013LEU-084ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-063PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PHE-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-032VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-034GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013PRO-129THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013SER-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013THR-164GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013TYR-075LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-016PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013VAL-154ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ALA-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ARG-083THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-061LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASN-137TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ASP-017ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-80.8659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLN-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-036LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-120.7499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014GLU-164TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-26.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014HIE-043TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-025TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-027ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-085ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014ILE-088MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-061GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-163ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LEU-174PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014LYS-023GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-124.1083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-017GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014SER-084GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-019GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-021PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-022LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014TYR-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='014VAL-091ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-020ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-99.3862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ARG-164ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-019THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-048GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ASN-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015CYS-057LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015GLU-019LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.9316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-019PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-030LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-035ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015ILE-136HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-038LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-080PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-107.5906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015MET-023LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-039ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015PHE-044LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-018THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015SER-037LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-019ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-021MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-060HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.7376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015THR-061GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-025THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TRP-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015TYR-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015VAL-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ARG-047PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLN-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016GLU-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-021VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-046ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-072PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-137ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.6965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-034VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-192LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016SER-031ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016THR-022MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016TYR-079ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-033THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-059PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.5938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.0032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-029ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-049ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.8855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASP-060HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-024ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.0053)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLN-094ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.6538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-036TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017GLU-072PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-033ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017HIE-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-021LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-028LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-030PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-055HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ILE-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-050ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017LEU-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017MET-020LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-022SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-025TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-077ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.0659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017PHE-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.2900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017THR-307TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017VAL-049LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-023VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0484)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-026GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ALA-027VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ARG-057THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASN-227ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-032THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.1108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ASP-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018CYS-132HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018GLU-074ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-022GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-052VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018ILE-055PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LEU-039ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018LYS-024TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-060HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-086VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018PRO-139LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-024LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018SER-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018THR-035ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-164TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='018VAL-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-055HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ALA-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ARG-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=60.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ASN-053VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLN-026GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-022LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019GLU-025THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.9193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019ILE-051VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-037ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.7328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.8560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-022MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-027ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-058VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-081LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-137ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1204)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019VAL-138VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-039LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASN-040LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ASP-082LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-036TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020GLN-059ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-062ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=10.6466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020HIE-068LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0142)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-023VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-032THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020ILE-309ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-024VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-038ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LEU-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020LYS-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PHE-149LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-023ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4908)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-057VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-033THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.0845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021HIE-061PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-031HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-072THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-076VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-097LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-113ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-251HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-260ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021SER-142ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-148GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021THR-150LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021TYR-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-072GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ARG-073GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.6289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-028GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.8509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-046MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-055ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=9.5721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-058GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022GLN-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-072HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022ILE-074ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.1159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-057THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LEU-081LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022LYS-086ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022MET-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-027ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-031ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-039TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-040ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-041PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-064VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-069VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3960)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-099ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022PHE-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6558)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022SER-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-026THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-039TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-040TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-043ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-055LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022TRP-059VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.4567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-120.1355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ILE-060PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-036ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-055ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.9750)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-029GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9511)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LYS-064TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023MET-038ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023SER-051ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023THR-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-026LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023TYR-031TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-041ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023VAL-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ALA-034ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-073ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.3269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ARG-076GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.5856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-027LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-029ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-034TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASN-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ASP-065HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-26.0270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024CYS-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-041LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-050ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.6649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-029GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-031LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-032VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-089THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024THR-041GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-032HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-183THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-029LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-036THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-039TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-260ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025GLN-274ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-028VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-100TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-038MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-144LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.6032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TYR-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-029TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-057VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-054ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-055ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASN-058GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.4056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0217)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ASP-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLN-065HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-042HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=13.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-057TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026GLU-059ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-98.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-037TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-037PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-039ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026LEU-135ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-029PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-099ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-030TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-036PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-118ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9110)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026PHE-217THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026THR-031LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026TYR-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026VAL-041GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-074LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ALA-102ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-96.0378)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-055THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-96.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027LYS-089LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-030ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-069SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-078GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PRO-032MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.0145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-097LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.1244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-036LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.9358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-055THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028SER-056GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-031THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.9826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-036MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-038VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-086ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-105PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028VAL-170LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ALA-274ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-034LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-27.3346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASN-179SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3814)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029ASP-070ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=82.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLN-033ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-045LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029GLU-055SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-034VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-036PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-040GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-045GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LEU-095TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029LYS-035GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-101TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PHE-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029PRO-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.9419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029THR-121TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-302SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-305ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-308ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.5589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TRP-315PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029TYR-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-036VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='029VAL-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ALA-274ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ASP-320ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.6173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-034TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLN-036MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-033GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-034ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=67.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-038PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030GLU-061LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.7513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-055ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.6730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030ILE-093TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.8537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.1080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.4269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030THR-121LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-033THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-036PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-042GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.4515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-046LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-103PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-171THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-176SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-212GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.4701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-213GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-216SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030TRP-217THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-033VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-044LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030VAL-050ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ALA-088VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ASP-034HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=20.8633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-035LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-037SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-109LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-125LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031HIE-128GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.4154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-034ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-097TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031ILE-246ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-125LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031LEU-213GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-060THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-061ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-076ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-092TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PHE-095TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031PRO-097VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-085GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.9856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031THR-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-060ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.8323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-164VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-168GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TRP-171ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-037PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-048HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031TYR-051GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-068LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-071VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-073VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='031VAL-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ASP-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5013)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLN-116ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.9733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-035ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032GLU-169THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.9144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-036GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032ILE-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-080GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-107.4579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-083LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032LYS-091LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-058ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-081VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032PHE-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032SER-057GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.7369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-093LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032THR-128LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-062ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-074VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032TRP-083ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-042ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-052VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-056HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-068LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='032VAL-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-189PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ARG-191LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-276SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.7635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ASP-279LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033CYS-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLN-092ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033GLU-036ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.1035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-060MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033HIE-062THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.1111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-037ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033ILE-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-053VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-061PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033LEU-089ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033PHE-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033THR-100GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033TYR-094ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-055VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='033VAL-091ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-133LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ALA-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.4906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ARG-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-076SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASN-078TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-81.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034HIE-057HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ILE-037TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-038TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LEU-044TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-068GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.1464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-070TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034LYS-086TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-045TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-058CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-062HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-069MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-072LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PHE-100VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-065ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034PRO-075PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034SER-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TRP-037TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-136ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-143MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-148VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034TYR-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-046LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-048PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-072VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034VAL-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-065LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ALA-067ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-041THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.8312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ARG-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6127)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-172GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASN-174TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035ASP-046ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-98.3776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-038CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035CYS-154THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035GLU-189PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-059ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035HIE-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-061PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LEU-085LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4026)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035LYS-090GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3385)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-062THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035PHE-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035THR-112LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-045HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-064ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-157VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='035TRP-161LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.6461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-042GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.9668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ARG-162GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.5542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036CYS-039CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-040HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLN-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.9474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-039LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.4577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-045LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-053VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036GLU-056ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-81.3827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036HIE-063LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-040THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-061ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036ILE-063TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.7095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.8991)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-047PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.4020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.5010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.3833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.8423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-050ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.2263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-047TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LYS-047PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-042VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038THR-053PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-063TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-065PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-068TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-073ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-078ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-081TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TYR-060TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-041VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.1909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.8105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.1247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=9.0442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0064)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.2802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.7098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.3762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.9313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2170)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6643)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-162GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-052GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-045TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-055VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040VAL-063VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-081GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-121ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ARG-051PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ASP-084ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041GLU-045LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-107.3074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-058ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-061PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ILE-107PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-155PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LEU-170TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-045GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-107PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041LYS-110SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.0055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-047SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-073ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6121)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-094LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-104VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-059LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041VAL-064LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ALA-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ASP-045THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.1606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-101PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-103PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042GLU-121ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-052PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042ILE-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-047ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-048VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4894)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LEU-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042LYS-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-123.1391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-049PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-056SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9975)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-061LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-064LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-074LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-085PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-088ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-089MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042PHE-101VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-058ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042SER-062ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042THR-052ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='042TRP-049ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ALA-077TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-054HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-058ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.7475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ASP-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043GLU-104ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043ILE-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-050PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-055THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-114SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043LEU-161TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043MET-060VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-068TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043PHE-073PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043THR-059LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-048GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-049THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-068LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-185HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043TYR-186TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='043VAL-069VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ALA-052ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-048THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ASN-059THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLN-061LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-28.3338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044GLU-084ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-94.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-067HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-073TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044HIE-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044ILE-101HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-079VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044LEU-272GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7308)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044MET-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-048LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PHE-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044PRO-053ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-093ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.9825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044THR-118TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-048TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-085PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1806)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TRP-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-048LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.9527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044TYR-109LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044VAL-174MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-054HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ALA-071HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045ASP-081GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=89.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045GLN-062LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.2295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-051GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.1096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045HIE-053ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-049TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2901)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-055ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5535)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LEU-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-048GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045LYS-084GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-72.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-057GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-066PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PHE-075LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.1804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-080VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045PRO-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-048ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-066VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-097SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045THR-168LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-048ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-049ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TRP-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='045TYR-053THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-050ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-95.0582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-182GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.6942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ARG-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.6092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ASP-083ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=55.5552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-071GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046ILE-074LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=11.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046LEU-103PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-050LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-088MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-119GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PHE-161TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-140ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046PRO-141ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046SER-088ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046THR-069ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='046VAL-094PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-050GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-81.6166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ARG-059MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-062LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ASN-276PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047ILE-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LEU-055LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047LYS-059ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.1774)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047PRO-164TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047SER-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-081GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.0962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TRP-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-052PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-053ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-055ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-077HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='047TYR-136TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.9809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ARG-060MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASN-052ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.0161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ASP-131LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048GLN-070SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-052PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-099HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-174MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048HIE-178ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.5239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-052ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048ILE-279ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9601)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-070PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-074TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-077GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LEU-141PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1063)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-082ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048LYS-098GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.2833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-101LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048PHE-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-093THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='048VAL-099ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5467)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ALA-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ARG-167GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.7839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049GLU-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.3978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-059ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049ILE-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-054VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LEU-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049LYS-158ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-056PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-057GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0500)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PHE-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049PRO-052TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049THR-053LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-054PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2054)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-098GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.9240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049TYR-102ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-053THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-124GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='049VAL-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ALA-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ARG-054THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.0959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASN-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-053THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-067PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2337)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050GLN-055TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-065PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050HIE-087TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-053ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-071PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1325)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.6463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PHE-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-053TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050SER-066PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050THR-143THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050TRP-054GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050VAL-054THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.0374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-154LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051CYS-156THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.2429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-089GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.2506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLN-098TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051GLU-056MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051HIE-277ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051ILE-068LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-055ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-096TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051LEU-131LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-058VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-091ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051PHE-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051THR-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-093VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.9887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-097ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051TRP-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-071ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='051VAL-104ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-061ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.8191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ASN-143THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.8457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052GLN-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-056GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-087VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052ILE-100VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-060LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-062PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-141PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052LEU-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-056MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-061CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-073THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-141MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-148ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PHE-157ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052PRO-109LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052SER-063PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-058PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-061ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052TYR-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='052VAL-057SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-063SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASN-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ASP-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7779)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-069PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-075LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053ILE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-057PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053LEU-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053MET-140ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053SER-089GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.9499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-059LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-083ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-092TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-094LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-142ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053TYR-169MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-057ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-068PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-074ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='053VAL-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-069PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ASN-141ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-057ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-058ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.2598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054GLU-141GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.0680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054ILE-074ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-061LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-063PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-069VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054LEU-091LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054PHE-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054THR-057ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.3392)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-091ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='054VAL-097ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASN-058TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-069ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.3255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-104LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-86.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ASP-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLN-272GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.2867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055GLU-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8540)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-141GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-071PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055SER-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055THR-072THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055VAL-059ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-061VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ALA-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ARG-061LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056HIE-287LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056ILE-059PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LEU-069LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056LYS-160ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-109.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-059MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056MET-181ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-062PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-129PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056PHE-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2542)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056SER-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-064VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='056TYR-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057ARG-067VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057GLU-061ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-88.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057MET-060MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-060LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-066ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-098VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PHE-163ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057PRO-063TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057TYR-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-084ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='057VAL-181ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9322)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-062LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ARG-141GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ASP-279LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.6331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058GLN-067PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-067GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058HIE-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058ILE-097TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7676)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-071VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LEU-094GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058LYS-122VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-062TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-070TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.9560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058PHE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-084SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3906)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TRP-180SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-062LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.4244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-066VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058TYR-077ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='058VAL-085ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-065MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ARG-067GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.2245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ASN-062LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-27.4962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5375)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059ILE-094LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-117VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LEU-119GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-063ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.8153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-075TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059LYS-135ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-063ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-118THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059PHE-127ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059THR-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='059VAL-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ALA-081LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060ASP-165ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=78.3688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-068PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-095PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-098VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060LEU-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060MET-070GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-087LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.9988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060THR-176ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.5831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-064LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060TYR-128PRO-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-063TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='060VAL-157PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ALA-080ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-083GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.4538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ARG-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASN-065ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ASP-065LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-080ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-78.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-142MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.9415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061GLU-145LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6272)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-064PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-086ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-089MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2735)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-092TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061ILE-155ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-065MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061LEU-079ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-068VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5609)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-086VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-099ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PHE-117VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061PRO-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061THR-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.0038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061TYR-066LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-064TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2285)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-066VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='061VAL-068ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ALA-070MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ASP-080ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-86.3374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.2747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4318)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-120TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7584)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062PHE-128PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.2799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-102HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.0986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-084ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ASN-081THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-067ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=12.8607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.6493)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-140LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4796)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-081TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-067LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064GLU-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-072PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-084TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064ILE-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1033)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-123THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-125TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064SER-171PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.6640)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064THR-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-068LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-078PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-083LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064TYR-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-073ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ALA-070PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASN-110GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065ASP-110GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065GLN-088TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-077VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065MET-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PHE-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-101LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065PRO-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-068TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065SER-108TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-069ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065THR-082LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0227)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-146THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8986)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TRP-154THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065TYR-090PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.8140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066GLN-070ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066HIE-069GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ILE-146VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-075LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PHE-109SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066PRO-095TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-109TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066TRP-110PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ASP-070ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLU-139TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-070HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067HIE-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-078LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-107LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3972)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067LEU-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.0451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.1453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.5804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-080GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.7985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.0109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-110LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-073ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-082HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ARG-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.6190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=61.7055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069HIE-078PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ILE-101ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-080TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2727)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069PHE-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069THR-080LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-073TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-086ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069VAL-114VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASN-080GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=7.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070ASP-076THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.8749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070GLU-073LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.9838)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070MET-075ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070PHE-120TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070SER-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-120ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.9377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070THR-124THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-084VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8507)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-138LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='070TRP-174PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071ASP-074LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071LYS-195ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-080LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-086ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071PHE-114SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071SER-082HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-078GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-099TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.1627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-100SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-125PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-165ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071TRP-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-077ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-083ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-085ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='071VAL-119VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-116ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.4970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ARG-118TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ASN-075ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-093TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072HIE-095PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-077PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-082HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072ILE-116PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072THR-175GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-076ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072TYR-127ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='072VAL-176PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-076LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-119ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.2882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ARG-163ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-135ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.2879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ASP-193VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-077ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073GLU-119SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.7059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073ILE-128ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073LEU-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-077TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073PHE-079LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-090SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073SER-178SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073TRP-089TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='073VAL-111ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ALA-083TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-130TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1904)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-135SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.1516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-136GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074ARG-147TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7393)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLN-094ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.5785)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074GLU-096ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-61.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-079TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9709)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-102PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LEU-107PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074LYS-127ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-080LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074PHE-083HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-091PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074SER-111GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.8478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-080TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-083ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='074VAL-190LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.4268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075GLU-079GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=76.6167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-080ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075ILE-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-094ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075LEU-111LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1429)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-093PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-182ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075PHE-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-078TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075SER-111ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.8245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-96.0344)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.9346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.3677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-091PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076GLU-170LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ILE-094ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-117ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-123THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076SER-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1624)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076THR-090SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2354)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-125ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-136TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-139ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9592)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076TYR-143TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-096ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ALA-138ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ASP-080ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-85.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077HIE-111LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-102PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-112ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-125VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077ILE-128TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LEU-093VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-178VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077LYS-186ASN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.3533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-089PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-093ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-097LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-162PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1723)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-201ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='077PHE-205GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ALA-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3608)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078ASP-157LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-085LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLN-088GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.1687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078GLU-127GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.9870)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078HIE-081PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078LEU-108VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-082VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-096ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8257)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-104TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-107ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8255)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9286)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-215ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PHE-218LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-115PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078PRO-186ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078SER-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='078TYR-082PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8927)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-083ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-97.3379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ARG-182ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.0307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-131HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-26.5430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079ASP-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-089PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-100THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079PHE-104LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-088ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079SER-208TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-089LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079THR-110THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0485)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-084PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1591)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-112LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-153TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079TYR-167GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.7041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-087LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='079VAL-094ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ARG-090ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ASP-087LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.9587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-092ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080GLU-155ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.5273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080ILE-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-085LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-098SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080PHE-166PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080THR-090ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9913)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-088LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-090TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-095ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TRP-136ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-129TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='080TYR-172GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ALA-088ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-084LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-085SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASN-100TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ASP-092SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.0018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLN-085ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.9858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-101ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.0937)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2848)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081GLU-103GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081HIE-202PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081ILE-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081LYS-105VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-106CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=13.6623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-134GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.3303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081MET-138ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081SER-087PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-085ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081TYR-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='081VAL-149HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ARG-088PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.4463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082LEU-176PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082PHE-104VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2577)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.9396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.3119)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-93.2942)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.9921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-086GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.9886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.7061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-088TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3623)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-086MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.0155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083THR-087GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-087PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083TYR-096ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-087LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-094PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-103TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-140TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.1554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-099LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1868)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASN-103TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-087PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.6987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084CYS-090LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.1618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084LEU-090LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4430)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-122PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-107PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084THR-108TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-089ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084TYR-095LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ASN-099TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085HIE-101TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-089ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085ILE-103LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-094PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-108LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-137ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LEU-138LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-088GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.3809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085LYS-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085MET-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085PRO-090LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-089ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='085TRP-135LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.1784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-104TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ALA-136PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-091ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-092TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-112TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086ASP-115ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.3763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086HIE-089GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=14.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086PRO-090ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086SER-136TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='086VAL-116VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-171PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ALA-173TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087ASN-091LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.3944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-119ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.9928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087CYS-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087GLN-139ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-095PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0776)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-109VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087LEU-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0850)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-186VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087PHE-188VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='087VAL-102LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ASN-092ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088ILE-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088LEU-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='088PHE-092LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7869)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-106ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.0568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-108TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.1421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ARG-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-092PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-112ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.5973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ASP-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089CYS-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089GLN-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089ILE-112TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089LEU-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089THR-098LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3481)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-094TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='089TYR-153VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ALA-121PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ARG-187SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090GLU-119ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-101.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-099LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-107SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8864)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090ILE-190VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090LYS-122ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-129TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.6945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-113ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091ASN-096TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-098SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3363)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-118THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-122ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=11.8832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091HIE-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.9459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091THR-094HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.5120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091VAL-094ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092LEU-095HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-099TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5219)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PHE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-102HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092PRO-133LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092TRP-100GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=24.7974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092VAL-117PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ALA-164ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0251)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASN-096LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093ASP-097THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.0742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-118GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093HIE-120ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3605)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='093PRO-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-099THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094HIE-104PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094ILE-114TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-132VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LEU-182MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094LYS-112ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.6646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-098ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PHE-141ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094PRO-135MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-097THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094TYR-153VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-125TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-152LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='094VAL-166PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASN-164ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.5855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ASP-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.5786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-098TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-185THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095GLN-187ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-120TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8244)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095ILE-144THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4042)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-103ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LEU-133LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-107ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-109THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.8260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095LYS-127ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.6708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-099LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-118ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6790)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-154ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095PHE-160VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095SER-114THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095THR-182ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.9421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-099LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TRP-104VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='095TYR-106TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-100ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.8241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ASP-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.1294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096GLU-121LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-103SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-126LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4537)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-127ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=12.6220)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096HIE-132VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096ILE-127VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096TRP-110LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='096VAL-108THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-105LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ALA-117HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ASN-102TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097GLU-101ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.7151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097ILE-105THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-111PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9615)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-113ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.8786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097LEU-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-103ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-181TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PHE-183ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097PRO-106ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-145LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-173TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TRP-213ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-101TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097TYR-179LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='097VAL-112TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098ILE-145ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-101VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-115SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-117ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-136PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-144VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098LEU-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8638)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-102ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098PRO-114PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-112PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-127VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-138TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.0381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098SER-164ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.2899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-101GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9536)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-105TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-152ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-286TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='098VAL-287LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-102HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-147VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.1772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-108GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099GLN-148HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ILE-103ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099LYS-104THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6453)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-107ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6736)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099MET-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.6851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.6074)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.4846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100VAL-283ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-138TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8259)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.4200)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1843)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ASP-106SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5733)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-127GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-272GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-110ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-145ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-165LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.7751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102SER-169ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.5574)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-149TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.9637)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ASP-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.6043)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLN-108PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-106LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.5320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-108TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-20.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103GLU-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=82.3893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103HIE-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.1097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-110VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3760)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104ALA-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-112ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3027)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-107ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-129ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-147LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2665)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-166GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.8040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-169PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-202PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104TRP-205GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-108ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-112SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104VAL-126ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ALA-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-139VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-146GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.3549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ASN-154ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.3456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-128LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5452)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.1359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105TYR-149HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3632)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASN-130HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.7748)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ASP-133GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.6436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106GLU-129LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.9178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106ILE-168ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-149PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-109PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106PHE-178LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106SER-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106TYR-112SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9616)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-23.5791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-129LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.7394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.6677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.2705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.2617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1455)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-226LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.7040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.2683)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=9.0529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.9101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.0444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=85.0164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1046)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-128LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-190ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2857)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-118ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8612)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ASP-195GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.2604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-122.9751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7664)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-21.8179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-119.1753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=84.4038)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.7715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=62.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2700)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.1175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.4079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9056)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.7243)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0015)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2303)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6457)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.2886)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=9.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=62.6364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.5060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3747)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7936)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3147)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9817)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2576)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5192)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3941)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-99.0177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0098)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.0791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0767)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.0527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6202)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2800)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3166)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.6336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.5402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8762)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8578)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.5998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-19.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.8008)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.4590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3349)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9469)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8333)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.9463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9342)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-96.8765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=13.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2738)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8144)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3543)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3778)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3914)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8133)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4319)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.4730)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-7.2421)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.2635)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5611)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8317)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.5515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.8294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.8068)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7931)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-8.3508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4949)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-79.3550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-101.6900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.3606)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-102.9938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.6067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.5820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-103.5756)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.8266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0502)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.6630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8388)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-141ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136PHE-146TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.0826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.5833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.7122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ARG-142GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-92.0435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138PHE-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138SER-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-146PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.2348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138TRP-243LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.9282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139GLU-144LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.8293)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-143VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.4478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-16.5874)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.2740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.8858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-13.6380)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.1795)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.0987)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-148TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0971)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.8996)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9061)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6951)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.2523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=62.5798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-22.8721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6758)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.9772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.2248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-121.7247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-153LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.3816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.9431)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=9.7695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7111)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9970)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.8547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-110.9993)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147PHE-182PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147VAL-175SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ALA-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148HIE-152GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-202VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-165TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148SER-163ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-171TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.6028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-175SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-177ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-159ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-165PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149TYR-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6109)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-157ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.2801)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150ARG-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-153PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6531)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-154TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-167LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-170HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-202LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4935)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LEU-203GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1917)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='150LYS-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3123)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151ILE-159VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151SER-159PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8130)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='151THR-163THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.3267)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-156LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152ASP-158LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152CYS-197VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-156ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.0041)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='152LYS-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-156ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-66.6693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153ASP-200ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-105.4791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153LYS-203GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153PHE-163LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='153TRP-158MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-204ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=62.0148)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ARG-208TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.5925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-159GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LEU-191TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154LYS-159ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3312)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-203GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.5129)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154TYR-207ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.6549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-197TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5369)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-277TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.9641)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PHE-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='155PRO-170TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-171ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-94.3629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-172THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.0939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-12.2417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156SER-191TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-202VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-117.4759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-193HIE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ALA-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158ILE-164LYS-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ALA-197TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3079)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159GLU-170LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-172TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3262)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5965)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.3564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7482)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8126)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-85.9163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-204ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0499)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6734)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.3899)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0990)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4708)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7957)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.7239)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-112.2118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=3.7179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3569)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7274)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3479)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0696)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-116.1553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6589)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.1296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.2092)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1532)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1278)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-186TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170THR-180GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2948)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171ASP-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.0702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171THR-180SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.0323)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-180PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.2367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-25.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-115.6402)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=58.6933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6357)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7345)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-211PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8387)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174ASN-178LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-24.8583)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174MET-177ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-203VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-268LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175VAL-274ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-6.4132)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ALA-195LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-182GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-113.6058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-76.0875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9867)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-208ALA-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4209)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176THR-180LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5376)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177ASP-216GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=70.7570)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='177GLN-190VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8969)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='178SER-239ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.0772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-238MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-216GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=4.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-250PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.5772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179TYR-258TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.1706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-219SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180ASN-229TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-100.5898)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-104.5256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.4934)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.1237)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3478)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.8794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-185GLN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8072)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-258TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ASP-186ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-10.7561)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8181)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=2.4783)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-14.8613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-87.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1822)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2593)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1475)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1791)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.6915)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5555)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4160)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.3518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3206)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3207)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-4.7321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.5197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-15.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9519)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.4619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-9.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-118.5568)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.8845)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.6261)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=6.5954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7360)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1714)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.5654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=11.0811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5977)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3997)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8250)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-108.5701)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5379)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-5.4165)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-27.1179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4161)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-109.1427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-114.2108)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.7273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5114)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2985)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.9438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.1691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5205)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.9320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-111.5191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=7.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.8849)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.2246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=81.1183)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=5.3807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.2299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-18.9489)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8403)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.0588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.1007)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8456)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.3887)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.7566)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.6487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=0.0492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3241)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.2454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-2.2614)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='235VAL-294ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3621)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-262VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-279ILE-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.6816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236PHE-282GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-249ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.3137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-263ASP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-247PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='238MET-255TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-244THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-3.3547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='239ASP-271PRO-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-11.6686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-17.6368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4328)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-91.5613)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='243LEU-269HIE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.1952)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='244SER-294TYR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245ILE-250ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.9164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='248MET-298ARG-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6716)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-269MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.4547)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1474)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-297PHE-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-300LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.7086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='250ILE-255TRP-2', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.8872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='251LEU-269MET-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.0438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='252PRO-258ALA-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.1408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-261THR-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=1.1754)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='253ALA-302SER-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='255TRP-261VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-1.5851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='258LEU-261VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.3465)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='261VAL-266VAL-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.0552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='264ILE-271LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='270SER-283LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='273PRO-283LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.8196)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='274ILE-279LYS-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.5343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='275ASN-278LEU-1', method='B2PLYPD3BJ', mode='dfhf_dfmp_CP', basis='adz', value=-0.6866)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-005ASP-1', method='B3LYP', mode='dfhf_unCP', basis='def2qzvp', value=-60.9232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-013ARG-1', method='B3LYP', mode='dfhf_unCP', basis='def2qzvp', value=68.6085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-015GLU-1', method='B3LYP', mode='dfhf_unCP', basis='def2qzvp', value=-79.8780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ARG-159VAL-1', method='B3LYP', mode='dfhf_unCP', basis='def2qzvp', value=1.4775)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-026VAL-1', method='B3LYP', mode='dfhf_unCP', basis='def2qzvp', value=0.8687)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='001ASN-097GLU-1', method='B3LYP', mode='dfhf_unCP', basis='def2qzvp', value=-15.5658)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='003VAL-118ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2506)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ARG-095TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.3122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASN-009TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.4226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-043THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-15.7731)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004ASP-194ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-101.1398)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='004GLN-007ASN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.8539)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-024ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.4584)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-038ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9128)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3471)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-011ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5755)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-100.9030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-063PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.8769)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-011GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=8.7107)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-119SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.9764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASP-131ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-108.9753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007GLU-033LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.7894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-015LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2918)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-030LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-038TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-042LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ILE-097VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-017ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-026VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1314)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-033LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-090TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-096TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LEU-168HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-011ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-112.7981)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-093SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007LYS-099THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-019VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0252)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-021PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-022VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-024VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.9281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-035PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-111PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5812)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007PHE-160CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-010ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-6.7829)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007SER-100ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.1304)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-026GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-034ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-038VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2226)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-040THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-154GLN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-191TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5035)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007VAL-248MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-034ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7535)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ALA-038MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ARG-115SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-13.7276)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASN-030LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.9974)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-018ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-109.6152)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ASP-058ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-012HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-015TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3057)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-032MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2815)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-033PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5763)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-034LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-035TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4702)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-041TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-058PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3302)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008ILE-062TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LEU-017ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008LYS-068GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.5060)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008PHE-097VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1138)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008SER-032SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.6813)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-066LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9688)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-072SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8231)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='008VAL-080PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ALA-084LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4122)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-023GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-94.6953)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-031TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.8880)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-092LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.6704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-103GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.4636)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-106ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-88.3386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ARG-128ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=62.1690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASN-024ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=11.3486)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ASP-021LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-068ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2228)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009GLN-072ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.1371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-013TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9553)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-038LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-052PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1514)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-092LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-105LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4221)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-108PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009ILE-155ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-013VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2590)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-033LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.7677)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0889)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4330)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.9435)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.2633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-053TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-111ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.4634)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-121TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-158ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2240)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-301MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-303TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-021PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-025ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-035ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-084ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4740)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009VAL-086TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-039ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-99.3765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-042ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-88.9159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ARG-092LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2058)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-014GLN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.2162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-023GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.1964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASN-088TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010ASP-090TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.5116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-022MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLN-102TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.6216)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-014LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-66.8005)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010GLU-032SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=13.1139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-015TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.1048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010HIE-023ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-091ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0387)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010LEU-132ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010PHE-028ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-022LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-025VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-032PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1671)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-052TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TRP-081VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-017GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=5.3070)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-049PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010TYR-052TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-028LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-034TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-040PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2813)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='010VAL-044ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ALA-016GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011ASP-091ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.4084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011CYS-042VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011GLU-062TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=4.9979)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='011SER-223GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.4048)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-018LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5620)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7822)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-047ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1448)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-070MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-074VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-083ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-085ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-088TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7466)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-026PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0893)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-040PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-116PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-163ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012PHE-166CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-138SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.9324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012SER-166PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012TYR-087PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-016LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-023LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-088PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-114PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012VAL-146PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0764)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ALA-096TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1901)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-016GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=64.4390)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013ASP-023ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-115.9266)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-039ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-90.5081)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-052ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.5017)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013GLU-056GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-20.8255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='013HIE-032ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3455)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-145LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2370)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016ILE-219PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-036LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6412)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-062LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9756)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-082SER-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.6218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LEU-141MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016LYS-085GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-104.5796)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-036VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5370)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016PHE-176PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-055PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3596)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='016VAL-084ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ARG-056HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-5.9116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='017ASN-021LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.2356)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-177PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-178LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1245)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020PRO-181ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.7223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-058VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020SER-091ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4100)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='020VAL-029TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1515)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-039TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2536)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ALA-100ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9255)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ARG-035GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-89.6096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-22.2400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-024LYS-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021GLN-057TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0689)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-036VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-038VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-041PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-077LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8075)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021ILE-088ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-032TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.7115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021LYS-039ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-058TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-062GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2629)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021MET-069ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-025GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1666)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-054ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-060PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1839)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-079ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2139)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-082PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4428)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='021PHE-131VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024GLU-054ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-103.6361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024ILE-055TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-028GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3481)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-054VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-260ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1315)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LEU-261ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-057TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1495)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024LYS-069TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-6.1437)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-099TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.5885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-100SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1703)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024PHE-130LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024SER-038THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=4.7894)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-049ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2125)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-054PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2825)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-079PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-142VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7021)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='024VAL-143GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3208)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-035TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3331)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ALA-037ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4438)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ASN-181ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-6.7622)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-056LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-059ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.7781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.6873)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-084ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-090ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025ILE-091VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-055VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5610)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-060PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025LEU-075ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2586)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-035ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0395)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-075ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=5.3522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025SER-100ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-045THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.9011)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025THR-103LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.6502)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025TRP-135ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1552)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-083GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='025VAL-185ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3291)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026ILE-078ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3003)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='026MET-168TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4186)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ARG-094ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-96.4424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-039THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-046PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6076)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027ILE-075LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-057VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027PHE-071VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1561)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027SER-034ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027THR-036SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.8785)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-085ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-086TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-088ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1297)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='027VAL-090THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2238)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-038VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8052)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ALA-041VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ARG-031GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.2982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028GLU-072HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-22.9405)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-091VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8984)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-106VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.8888)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028ILE-151VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3055)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-037VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-055LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.6719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-058ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2102)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-059ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5933)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-061GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LEU-133PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4772)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-067TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028LYS-317ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-19.6521)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-031ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.1667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-037ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6895)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028MET-040HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0030)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='028PRO-058LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6134)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-039MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0298)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-041ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.9389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-046PHE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.7585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-047TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036LEU-098ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-049LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2112)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036MET-054VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=4.7871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-075SER-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-113ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.6666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036PHE-303TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0798)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036SER-069THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-090GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-18.0188)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-104MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036THR-133PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3874)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036TRP-049PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2786)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-060TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-070TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='036VAL-086TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ALA-056ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ARG-152GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-117.2839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-040THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=4.2771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASN-067GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.4879)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-040ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-77.3788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ASP-064TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037HIE-050GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-22.7516)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-116PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-125LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-162PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2247)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037ILE-165VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037LYS-162PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7860)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037PHE-048HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037SER-043ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.9943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-053ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.6784)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037THR-085LYS-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.9388)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-053LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4373)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-13.7305)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3706)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1176)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-146PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0296)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-046ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1359)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-061VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PHE-101PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2446)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038PRO-108ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0154)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038TRP-132ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4468)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-072PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-082PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038VAL-083ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ALA-095PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ARG-043ASN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.2000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-042ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-20.7744)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASN-081SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ASP-057THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.1407)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039GLN-047ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-15.2715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039HIE-057HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=11.0411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-054LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1946)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-055TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5684)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-108ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2527)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039ILE-109CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.7383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039LYS-043HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-165PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-166ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039PRO-199LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-054GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.0861)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039SER-067GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.3176)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-046THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.4861)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-079LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2386)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039THR-083VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-052SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.6351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-064VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0409)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TRP-066LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3180)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039TYR-043ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.0498)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='039VAL-083TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6526)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-073PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2016)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-077TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2362)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASN-090ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-7.3751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ASP-065THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.9552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040GLU-045GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.4225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-103HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.3559)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040HIE-105LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-054VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040ILE-057LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3299)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040LEU-063TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040MET-085ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.4321)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-052TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0406)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-116PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3223)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040PHE-133PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-044TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2653)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-048VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1921)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040THR-186TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5109)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-121ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0674)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TRP-122THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.2693)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-076VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-079ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='040TYR-082PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5879)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041ALA-047TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3234)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='044SER-118ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.8971)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ASP-092TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-22.7838)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050ILE-079VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8411)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050LYS-056GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-110.6630)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-058PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2922)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='050PRO-096TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.4538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-061CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8199)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-151THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2324)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055ILE-155ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.3705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055LEU-060VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='055PHE-139ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2113)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=5.1704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0967)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-6.6089)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7141)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.6617)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2269)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-075ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-077ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LEU-079LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7323)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062THR-099ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-7.8633)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7138)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-083GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-20.7537)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-093ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0128)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-095TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2062)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063GLN-165ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.0579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063ILE-077LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2831)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063LEU-068HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0778)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-090GLN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-091ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3037)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063PRO-094VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1841)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063THR-092TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.8100)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-085MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063TRP-098LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3627)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='063VAL-154THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3161)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064PHE-097PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1486)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='064VAL-143GLN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2729)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='065LEU-080VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2237)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ALA-084ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4937)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ARG-167GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-116.6060)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066ASP-069ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-91.8038)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-073PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066LEU-138THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1246)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='066VAL-085ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067ARG-077ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8741)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067GLN-115GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-5.1063)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-095TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067PRO-101ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067SER-073TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-080TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067THR-082VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='067VAL-085ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.2424)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ARG-072THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-10.9433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-075LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.8066)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068HIE-123ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.5149)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-072LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.5162)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-084TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068ILE-091LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8045)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-081VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068LEU-146PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068MET-131LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2961)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-076LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4084)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4265)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-077VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-080LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2312)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068PHE-083LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3143)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='068TYR-078ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4832)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069ASN-119VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7036)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-076ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.5367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-078ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-115.4660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='069GLU-123ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=63.0317)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='075TRP-176ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-079GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-94.9816)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-120TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2087)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ARG-208TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.9462)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-084LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-089TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.5241)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076ASP-188GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-19.1105)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076LEU-086MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7730)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='076PRO-112LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2277)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082ILE-186VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1180)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-108LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3737)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-126SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3179)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-127PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6143)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='082VAL-130VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-089HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.5347)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-105TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=5.5473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ASP-136ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-91.5777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083GLU-094TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-5.2997)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083HIE-089ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.4425)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-155ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2473)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083ILE-173LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3201)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-087LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3433)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083LEU-108VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1987)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='083VAL-153PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ARG-089ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-86.1562)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-107ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-13.0604)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084ASP-126VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.9350)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='084PRO-135PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2375)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090PRO-154VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6494)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-5.6947)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-095ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6959)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-099ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4426)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-105LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='090TYR-112GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=8.8380)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='091LYS-140SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1932)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='092ALA-164GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2597)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-149ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-177ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-101.9096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099ARG-216GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-86.4581)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-104TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-164PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099PRO-166GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.9001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-118PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1533)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='099TRP-272GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.5289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ALA-112PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ASN-113LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-103HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100ILE-104LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.2014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-130VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1666)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-134ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3291)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100LEU-142LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8654)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-119GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-18.2846)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-131VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100SER-148ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.7461)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100THR-104LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='100TRP-103LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-9.2126)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-104ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8803)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ALA-128ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ARG-142LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASN-125HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.3031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ASP-145THR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.6982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8006)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-110PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3327)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101ILE-123ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101LEU-111TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5480)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-132VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3383)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-135LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2722)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TRP-177ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101TYR-151VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8195)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-106LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1989)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5545)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='101VAL-132PHE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6472)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ALA-114PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1731)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102HIE-109TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8454)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-149TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3641)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102ILE-153PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3184)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='102VAL-133PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6326)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103ILE-132PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4432)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='103PHE-122MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9005)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='104MET-133PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0367)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-131ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105ILE-135LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-114TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1998)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-168ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105LEU-175PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2328)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PHE-130ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-128ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='105PRO-181TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.6782)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106LEU-126LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5699)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='106VAL-112LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2823)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ASP-125ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-22.4151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-153TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3104)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107ILE-158MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107THR-125ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2716)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='107VAL-147PHE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3284)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-122VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2154)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108ILE-146GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2268)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-131ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2852)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108LYS-160LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-125TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-127PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0923)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108PHE-150VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-151ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1122)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='108TRP-155VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2419)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109ARG-115GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-109.1781)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109GLN-161GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-11.2724)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-113ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-181ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-182VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8394)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-185VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7689)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109PHE-228TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109SER-137ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-131VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0950)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109THR-158MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='109VAL-164ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4690)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-161PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ALA-164ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110GLU-129LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-113.8329)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-116PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-149ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3069)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-151VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2048)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110ILE-162VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-125VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3644)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110LEU-127ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-123ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6496)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-128PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110PHE-222TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1338)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-127GLN-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-5.0365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='110THR-129TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.3078)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-156SER-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=10.3976)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111ASP-193HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-9.1163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111HIE-218LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3572)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-116ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-130TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-158LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111LEU-169LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111TRP-115GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='111VAL-125ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1582)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-128PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ALA-131VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-115ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0639)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-125PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2350)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ARG-127GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ASP-183GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=86.7117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-125VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0340)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112ILE-142ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LEU-142PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112LYS-127LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1549)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112PHE-121LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-119ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.7301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TRP-120VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='112TYR-125GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4553)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-120VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4794)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-122VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7907)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ALA-225TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-131VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-164HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-185VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0522)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-190ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2277)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113ILE-232ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4872)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-117GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-170VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113LYS-173GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-121.6534)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.4650)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2458)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6193)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6211)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3645)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.8284)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4450)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0171)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.7413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4847)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0876)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.5945)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=64.6983)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3145)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.4414)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.6508)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.1962)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5442)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8187)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2236)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3571)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3348)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-126ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3404)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-129TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.3905)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PRO-130LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6824)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117VAL-166ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2658)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ALA-160VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4059)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-157ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=11.2073)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ARG-185ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=66.2150)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ASP-136HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-24.3287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLN-121PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0982)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-173PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118GLU-176THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-136VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-165ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-166TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118ILE-178TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3020)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118THR-121LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1191)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='118VAL-162PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3830)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119ALA-160LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119CYS-168HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.1833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LEU-137ALA-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119LYS-186VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1396)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119MET-144SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4004)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-124HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.6512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119PHE-176THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4203)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-123ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.4862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119SER-140TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9246)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2878)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119THR-123THR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5524)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='119TYR-174ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120HIE-185ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120ILE-123TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4156)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-123ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8497)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.5491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-124LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2290)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-135ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LEU-171TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8491)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-138VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120LYS-142ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-98.7546)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120PRO-126ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5232)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120SER-136HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0765)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-143VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3782)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120THR-147GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.0619)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120TYR-141PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-123ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-154ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='120VAL-275LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2777)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121ASN-132THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121GLN-144ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.5096)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6548)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121LEU-125HIE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-126VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1839)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-191LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121PHE-219TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121TYR-125LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='121VAL-157ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122ASP-125LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122LEU-188VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122MET-126GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-5.7174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-125ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5377)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-143VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='122VAL-152PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5332)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-128VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ALA-158ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.8910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123ARG-127GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123MET-140ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.4086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123SER-182ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3865)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123THR-136SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.4049)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123TYR-154VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1992)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='123VAL-134LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2628)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ALA-156THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4306)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-131THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.1415)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-132THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-18.6944)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124ASP-134ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-110.5028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124GLN-200ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4897)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-140GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.2627)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124HIE-143VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-136HIE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1113)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='124LEU-181VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3649)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125GLU-192PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.3189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125ILE-136TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2994)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125LEU-129LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125PHE-143VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4575)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-138SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.7028)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-150VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0454)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TRP-152LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='125TYR-164HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ALA-140GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3106)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ASN-129ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126GLU-130ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-102.2995)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-136PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3010)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126ILE-139PHE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-130HIE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LEU-162PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126LYS-158ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-132HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-171TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3761)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126PHE-176TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5595)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126SER-171ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='126THR-197TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127ALA-177ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-146ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-95.9168)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3295)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127GLU-269HIE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=14.5828)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127LEU-210VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3836)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127MET-131LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5596)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-132ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5999)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-133SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-138SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2177)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-140HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2657)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-158VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-183TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0178)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-206ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-237ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='127PHE-239PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128ILE-131LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128LYS-183TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7827)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-235LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1729)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PHE-252LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6428)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128PRO-275LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0979)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-158MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128TYR-160LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='128VAL-160LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1939)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASN-132TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-140HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.2877)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129ASP-148TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.6233)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-155PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7685)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-192PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1215)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-195PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.5726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0661)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129LEU-277TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3925)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-133VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2940)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-156ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.2544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129PHE-166PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5746)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-133ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.1512)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129TYR-136TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6050)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-159PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='129VAL-184PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6320)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-170TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-244ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1282)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130ARG-248GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-75.7517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-134GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.3513)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130GLN-137ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.3618)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-135ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-139ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2552)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130PRO-180PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2368)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-149HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-6.7745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130SER-153TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.9672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-139ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.7821)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-162VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='130VAL-185PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ALA-140HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ARG-134GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-78.7399)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-147PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0809)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131ASP-182PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8520)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-136VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6963)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131LEU-160MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3655)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-219VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131PRO-220GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='131THR-149LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ARG-136ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6140)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ASP-156ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-100.3563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-135LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-147ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-24.2557)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132HIE-149ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1040)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-135PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1551)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-138TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.7254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132ILE-146TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4082)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132LEU-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-162VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3083)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-174SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-176VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5896)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132PHE-183GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1146)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='132TYR-136PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-136ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-102.6602)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133LYS-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133PRO-151ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.1659)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133SER-161GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.0573)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-143MET-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2260)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-148VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.1189)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133TRP-277TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=4.6090)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-137ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.4541)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='133VAL-146TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6115)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134GLU-138ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-102.0167)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-147ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8492)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134ILE-167LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5084)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='134LEU-205TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ARG-193VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.5437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135ILE-180PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3256)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-139LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-163LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4242)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LEU-179LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-157GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-104.9859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135LYS-177ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1506)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PHE-147TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.5504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-140SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-144LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4401)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135PRO-155PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9530)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-147GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.9039)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='135TRP-208ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ARG-142ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.6670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136ASP-201VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.5001)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136CYS-143PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2875)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136SER-144ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-12.9710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-155CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0367)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-165ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.5085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136TRP-179MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0436)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='136VAL-169LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2036)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0743)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-154TRP-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.5863)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137ARG-157GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-99.5603)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137GLU-143MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.5847)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137SER-156ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4066)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='137TYR-166SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1647)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138ILE-156ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.4720)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138LEU-149PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5080)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='138VAL-144ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4503)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ASN-154SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.3720)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139ILE-143TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139LEU-204TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3812)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139PRO-180PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2184)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='139TYR-148SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0538)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-155THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-15.8389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140GLU-156ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-117.1065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='140LEU-168LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8921)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141GLN-160PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1966)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141LYS-144GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-110.5799)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141MET-155ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141PHE-152PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7773)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-144ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-12.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='141SER-154ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4459)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142GLN-154GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.8926)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-155LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2230)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142ILE-185VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3086)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142PHE-170ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6525)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-147LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-6.5563)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-150VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7647)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-160PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1304)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-170ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-199THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='142TYR-203VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-187ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-114.2003)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ARG-188LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=64.1859)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143GLN-147GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-21.5180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143ILE-146VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4706)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143LEU-160ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0310)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TRP-146LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-3.6022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143TYR-150ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7164)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-147LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='143VAL-152PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7417)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ARG-147GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-90.9973)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ASP-150SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-14.6842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144ILE-155THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5630)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144LYS-161GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-121.1351)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='144PHE-155ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5470)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145GLN-149MET-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.3759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145LEU-149PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1382)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='145THR-149PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.5669)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146ARG-207GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-116.8071)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146GLU-158SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=10.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-149PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4218)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-150VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7099)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-164TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1626)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-165PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6275)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146PHE-199LYS-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8246)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-161VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3853)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='146VAL-165HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1292)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-171TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.8120)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147ASP-188LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-110.4929)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='147LYS-203VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2876)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148ILE-204ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3117)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148PHE-164HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2747)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='148TYR-170ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3270)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149ASN-167THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2397)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149LEU-152GLN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3889)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PHE-164PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2451)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149PRO-152PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='149THR-157PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2824)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='154ILE-160VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2246)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-197GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-112.1945)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='156ARG-200TRP-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-9.0223)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ASP-204ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-116.3691)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157ILE-160CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1517)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-181ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6974)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157MET-192ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5094)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157PRO-161VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2667)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='157VAL-167PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2589)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158LEU-172THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4893)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='158VAL-205TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3655)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-199LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1686)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-200TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159ILE-203PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3710)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PHE-206ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3080)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-164VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-178TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159PRO-192ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2581)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='159VAL-180LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160LEU-164TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8158)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160MET-169LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-169VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='160PHE-203VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9182)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-285ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-84.4159)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-288ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161ARG-292GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-117.6862)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161THR-194VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8356)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161TYR-201ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4929)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='161VAL-170LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.5930)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-174ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1678)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162ALA-175TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4097)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1826)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-201LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4169)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-203VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162LEU-208ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1295)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-168LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7837)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162PHE-207ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0294)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='162VAL-167TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2753)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ARG-201LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.9792)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-166ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4900)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ASN-196ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.0062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163ILE-166CYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0443)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-171ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2692)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163LEU-175LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7364)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-174ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0943)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-178TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3955)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-180LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-183LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.4534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-184VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2283)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='163TYR-187GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.1911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-171ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1693)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='164VAL-225LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2587)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165ALA-292GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.1116)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165GLN-224MET-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5509)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165LYS-169ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-112.0273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165PHE-169VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6726)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-168ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=4.9554)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-171VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1504)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4556)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165TYR-208ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0343)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='165VAL-177ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2137)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166ILE-187ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2579)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-171VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3680)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='166PRO-172VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167GLU-187ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-114.8759)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PHE-170TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3808)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='167PRO-170VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168HIE-180GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-23.2366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168ILE-178VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4854)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-172ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.1787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168LEU-211ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3768)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-203ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2311)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='168TYR-224MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169ASP-172SER-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.3681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LEU-181TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2047)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-172ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169LYS-291ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6911)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='169MET-184VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9025)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170ALA-175TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0172)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170HIE-174LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2326)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='170LEU-178LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0238)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='171TYR-231VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5258)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ASP-204TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-24.0833)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172ILE-235VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2483)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='172TYR-193VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4980)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-234ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-114.4175)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173ARG-296LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=60.2339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173CYS-269HIE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5267)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173LEU-190VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173PHE-176THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3273)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-213ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1366)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='173TYR-245ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0989)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174THR-205LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1602)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-205PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-270TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='174VAL-273GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3049)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='175LEU-233ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5965)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ARG-273GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-75.4397)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5408)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-201ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2883)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176ILE-205LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8802)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='176LEU-204TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5735)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179ALA-250ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1118)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='179LEU-239PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1334)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-189ARG-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-103.2022)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180GLU-194ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-113.4300)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-184VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0789)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-209TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-9.3220)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='180HIE-224ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5490)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181ILE-228TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4699)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181THR-195SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.3044)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='181TRP-189SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2336)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-192ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5101)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-239PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0855)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182ILE-242LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2235)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6810)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-186LEU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='182PRO-189ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-190LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0301)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-194ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2881)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-205LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.6916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183GLN-209TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=3.6155)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='183TYR-186LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-11.2884)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184ASP-187ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-86.3163)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-205THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9338)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-209LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0625)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-225TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6136)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-228VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-238MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184PHE-255TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184THR-220ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2351)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='184VAL-225GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185PHE-190LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1695)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185TYR-220PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.5023)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-224ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7018)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='185VAL-228TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6198)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186CYS-192PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.1567)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186GLU-189LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-108.1544)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186LYS-191VAL-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.7646)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186TYR-273GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=6.5194)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-208PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1771)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='186VAL-223LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4316)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3000)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='187LYS-193THR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8705)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='188LYS-225GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.9410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-199LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3381)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-205PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0656)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189THR-207GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-13.9212)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='189TYR-232ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9495)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190ARG-235LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.8273)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190LYS-193GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-107.7248)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='190PHE-199LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7249)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191LEU-219TRP-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7067)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='191TRP-229TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192GLN-197VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2505)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192ILE-242LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3725)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='192SER-269ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-8.2371)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-248MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4871)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='193HIE-301MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.5065)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ASP-269ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-117.4353)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194ILE-205LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1134)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-201LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.2851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-217PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-233ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6279)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-237ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6103)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='194PHE-241TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.5051)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195ASP-241TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=8.0225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-205PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-237ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3225)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195LEU-269ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.2788)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='195PRO-198PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-218GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=12.2024)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-221MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7091)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='196HIE-249ILE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-201LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3920)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-252PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0718)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='197TYR-284LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198ASN-201LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1679)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-205PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5928)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-217PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6088)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-284LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='198PHE-287LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4157)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='199LYS-207GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-108.1044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='200TRP-204ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1820)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201LEU-284LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0882)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='201SER-209ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.1229)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-212ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5062)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='202TYR-241TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.6563)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='203VAL-291ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0832)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205LEU-212ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-223ASP-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-4.4012)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205MET-224MET-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3523)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='205THR-209LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206ASP-210TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-26.0014)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='206VAL-231TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='207PRO-216VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7787)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='208ALA-214PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4173)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='209TYR-214PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.5271)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210GLU-213LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-108.0751)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-216ASP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3365)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='210TYR-286TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211ASP-214LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-113.0682)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='211PRO-245ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2234)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ALA-221GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-1.0670)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212ILE-243LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.9400)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='212PRO-215ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2289)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='214ILE-217PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2903)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='215ALA-282PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.0412)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-234TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.4416)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-247ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2427)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='217PHE-249TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7698)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-249TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6715)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='218ALA-258TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5153)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219SER-229TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5464)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3565)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-222TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2384)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-272ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-286TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3597)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='219VAL-288LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7752)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-256THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0968)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='220ALA-286TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.7890)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-226LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.8550)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-230LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-111.3410)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-231TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=9.3501)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-262SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.0721)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-263SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.2444)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='221GLU-265GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=81.6287)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='222ALA-249ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3671)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-286TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=7.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-288LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-2.1719)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223ASP-289SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.7309)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='223LEU-227ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.3423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='224MET-229PHE-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2488)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225ASN-228ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0745)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-228VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4135)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='225TRP-252GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.0902)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-233LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-0.9707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-247VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1437)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LEU-294TYR-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2834)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='226LYS-262SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-16.2660)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-255SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=2.1131)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-256LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.2105)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='227HIE-289SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0938)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228ARG-232GLU-2', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-90.6263)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='228VAL-254THR-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='232PRO-290LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.8313)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234ASN-237ASN-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=1.3359)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-260LYS-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.1988)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-262VAL-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3213)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='234LEU-286TRP-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6320)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-258LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3835)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='236ILE-260ALA-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3052)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-267ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.9032)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237ILE-269ARG-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.4704)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='237TRP-246PRO-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.6586)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240ASP-270SER-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-17.0910)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='240PRO-268LEU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.5956)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='241ARG-272GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=-89.5218)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='245PRO-248GLU-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.0634)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='249ILE-276ILE-1', method='B3LYP', mode='dfhf_unCP', basis='adz', value=0.3507)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-053LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7978)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-055GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.6909)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='006VAL-175PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.9456)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-021PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.8804)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ALA-049VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6374)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-011GLU-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-103.8652)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ARG-062TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.1398)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='007ASN-109GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-19.6187)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-039ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.9487)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-041VAL-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6468)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-055SER-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.9648)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LEU-058ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.2358)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-137LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.8851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009LYS-171VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0296)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009PRO-069TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.5449)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TRP-111ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-11.8085)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-016GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=4.5389)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-029THR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.3916)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-033ASN-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-5.1728)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-035SER-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.3793)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='009TYR-050PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.6141)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-028LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6254)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-044ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.4288)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046LYS-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.5034)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012ILE-046VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6739)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-024VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-027PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.5174)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-033LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7598)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-035TRP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.3440)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-039ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.2083)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-057LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-062HIE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.8210)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='012LEU-064LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0494)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-084TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.6180)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LEU-102SER-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=0.0009)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.6222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-047TYR-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-14.3044)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-220ASP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-109.3341)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='015LYS-223GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-4.9683)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LEU-062LEU-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0510)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-027VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.8564)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-031HIE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.3339)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019LYS-071GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-118.6346)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019PHE-049LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0717)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.2197)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-023ARG-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-6.4732)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019SER-026ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-14.9928)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.1413)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019THR-035GLU-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.9642)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='019TYR-050TRP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.9493)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-067LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6335)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.7650)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='022VAL-079TYR-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.7422)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-027ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-106.9742)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-042ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-122.3029)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023ASP-057ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-116.7336)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-177PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.3749)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLN-217THR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-6.7538)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-028LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.6588)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023GLU-046LYS-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-112.6972)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0224)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='023LEU-035PHE-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.2790)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LEU-034LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0077)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-078TYR-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-7.3594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-083GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-120.7842)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-085GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-5.0151)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030LYS-169THR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-17.1562)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-042LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-044ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.4694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-061GLU-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.4856)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PHE-151ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.7539)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030PRO-057MET-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6983)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='030SER-109GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-19.2047)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='034ASP-037PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.4185)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-17.0011)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TRP-055LYS-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0463)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-046THR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.2954)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-050LYS-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.2418)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-066LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.6391)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='037TYR-068VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0534)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-199LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.4529)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ASN-202PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.5755)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038CYS-095PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.5253)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038GLN-042ASP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-22.1707)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-085ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7851)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038ILE-094LYS-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.4858)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-045PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0021)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038LEU-054LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6243)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='038MET-041LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7807)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='041PHE-054HIE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.8452)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-110GLN-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-6.8476)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-112PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.1840)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-171PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=0.2447)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.8885)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062GLN-173TYR-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.7334)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-070GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-8.2423)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-072LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.4964)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-073TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=3.6681)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062HIE-076ALA-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.1585)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-067ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6757)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-069TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.3214)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-105TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.9264)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062ILE-107PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.8420)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-067PHE-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.4875)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062LYS-147GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-4.2453)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-073ALA-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.2912)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-164PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-4.9518)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TRP-166PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.6095)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='062TYR-077PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.6053)
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    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113SER-120ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.9124)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-119PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.3607)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-124HIE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-4.7355)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-126ALA-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0594)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-171ASP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-22.8222)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TRP-178ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.4434)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113TYR-124THR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0819)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-120HIE-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.4305)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='113VAL-143PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.1433)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ALA-160ALA-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.6818)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASN-122ARG-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7599)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114ASP-179LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-5.5844)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-144ASN-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-8.4190)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114GLU-146ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-121.2600)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LEU-118ILE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.7687)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114LYS-225TRP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.1031)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='114VAL-167GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.2622)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASN-124LEU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.4811)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115ASP-156ASP-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=84.6414)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLN-118ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.7741)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.2891)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-123PRO-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-4.2672)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-160GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=62.8372)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115GLU-163TYR-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-4.2766)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115MET-168TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0668)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115PRO-129TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-3.2560)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-138VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.5633)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-20.6780)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115THR-142GLU-2', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-18.6281)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-122MET-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.0694)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-123PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.2451)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='115VAL-130ARG-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.8580)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116ALA-162PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.4280)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116LYS-144SER-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-9.1807)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-130VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-0.9185)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='116PHE-165VAL-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.1361)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117HIE-123PRO-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.5420)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117ILE-142PHE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.5932)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-125TYR-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-2.2662)
    dbinstance.add_ReactionDatum(citation='dfit', dbse='SSI', rxn='117PHE-130HIE-1', method='B3LYPD2', mode='dfhf_unCP', basis='def2qzvp', value=-1.6674